SCHEMBL1020541

SCHEMBL1020541

NCc1cccc(-n2cncn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
CYP2A6 P11509 1/20 0.49
CHRNA7 P36544 1/20 0.43
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
GRK6 P43250 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KLKB1 P03952 1/20 0.40
PNMT P11086 1/20 0.39
ENPP2 Q13822 1/20 0.39
CYP19A1 P11511 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
CYP3A4 P08684 1/20 0.37
CTSD P07339 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5252166 0.87 CYP2A6 (0.46) LMNACYP2A6CHRNA7HCRTR1HCRTR2
SCHEMBL10276671 0.83 CYP2A6 (0.49) CYP2A6CHRNA7HCRTR1HCRTR2GRK6
SCHEMBL9454369 0.83 CYP2A6 (0.49) CYP2A6CHRNA7HCRTR1HCRTR2GRK6
SCHEMBL11209168 0.83 CYP2A6 (0.49) CYP2A6CHRNA7HCRTR1HCRTR2GRK6
SCHEMBL30640531 0.83 CYP2A6 (0.49) CYP2A6CHRNA7HCRTR1HCRTR2GRK6
SCHEMBL4573347 0.82 SMN1; SMN2 (0.55) CYP2A6KDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL11926858 0.82 CYP2A6 (0.62) CYP2A6CHRNA7HCRTR1HCRTR2GRK6
SCHEMBL11990207 0.81 CYP1A2 (0.47) CYP2A6CHRNA7HCRTR1HCRTR2GRK6
SCHEMBL10154296 0.80 PRMT6 (0.50) CYP2A6CHRNA7HCRTR1HCRTR2GRK6
SCHEMBL11952906 0.80 CYP2A6 (0.45) CYP2A6CHRNA7HCRTR1HCRTR2GRK6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206870-B Tricyclic AKR1C 3-dependent KARS inhibitors 诺华股份有限公司 2024-09-03 CN disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
EP-4013500-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS Novartis AG (CH) 2022-06-22 EP disclosed
CN-114206870-A Tricyclic AKR1C3 dependent KARS inhibitors 诺华股份有限公司 2022-03-18 CN disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-09-08 US disclosed
US-9259426-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2016-02-16 US disclosed
US-8809365-B2 1-substituted 2-azabicyclo [3.1.1] heptyl derivatives useful as nicotinic acetylcholine receptor modulators for treating neurologic disorders UNIVERSITEIT GENT (BE) 2014-08-19 US disclosed
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
WO-2010002998-A1 2,4,6-TRISUBSTITUTED PYRIDO (3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-01-07 WO disclosed
US-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-12-24 US disclosed
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-11-19 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US disclosed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US disclosed
WO-2008071650-A2 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-19 WO disclosed
WO-2008003149-A2 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES , INC. (US) 2008-01-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 LMNA 2251/4885CYP2A6 1385/4885CHRNA7 61/4885
US-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HAVCR2, TYMP, HCCS LMNA 2499/4885CYP2A6 1715/4885CHRNA7 4765/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 LMNA 1113/4885CYP2A6 4613/4885CHRNA7 2372/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 LMNA 3793/4885CYP2A6 4344/4885CHRNA7 3897/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 LMNA 2251/4885CYP2A6 1385/4885CHRNA7 61/4885
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B LMNA 1339/4885CYP2A6 3030/4885CHRNA7 2725/4885
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD LMNA 1233/4885CYP2A6 134/4885CHRNA7 3872/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 LMNA 2409/4885CYP2A6 1310/4885CHRNA7 37/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 LMNA 2425/4885CYP2A6 1292/4885CHRNA7 52/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 LMNA 2425/4885CYP2A6 1292/4885CHRNA7 52/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 LMNA 1113/4885CYP2A6 4613/4885CHRNA7 2372/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.