SCHEMBL109617

SCHEMBL109617

NCc1cccc(OCCN2CCOCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.59
NCF1 P14598 1/20 0.58
KDM4E B2RXH2 4/20 0.58
TSHR P16473 2/20 0.58
TP53 P04637 1/20 0.58
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53

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
SCHEMBL8795880 0.93 ALDH1A1 (0.62) NCF1KDM4ETSHRALDH1A1SMN1; SMN2
SCHEMBL1898560 0.89 LTA4H (0.56) LTA4HKDM4ETSHRTP53ALDH1A1
SCHEMBL4283657 0.87 KDM4E (0.74) LTA4HKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL3645465 0.86 KDM4E (0.62) LTA4HKDM4ETSHRTP53ALDH1A1
SCHEMBL11941565 0.86 ALDH1A1 (0.77) LTA4HKDM4ETSHRTP53ALDH1A1
SCHEMBL3646083 0.86 KDM4E (0.62) LTA4HKDM4ETSHRTP53ALDH1A1
SCHEMBL4286569 0.86 KDM4E (0.72) LTA4HKDM4ETSHRALDH1A1SMN1; SMN2
SCHEMBL113404 0.85 LTA4H (0.69) LTA4HKDM4ETSHRALDH1A1SMN1; SMN2
SCHEMBL14578276 0.85 ALDH1A1 (0.69) LTA4HKDM4ETSHRTP53ALDH1A1
SCHEMBL30831444 0.84 ALDH1A1 (0.55) LTA4HKDM4ETSHRTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-8765757-B2 3-heterocyclic substituted indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
EP-2222660-B1 3-HETEROCYCLIC SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2014-03-26 EP 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
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
US-20080051405-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-02-28 US disclosed
WO-2008020799-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 WO disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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 (7 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 LTA4H 2159/4885NCF1 1648/4885KDM4E 649/4885
US-20080051405-A1 Therapeutic Agents GPR119, HTT, IAPP LTA4H 1746/4885NCF1 1962/4885KDM4E 2988/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 LTA4H 3799/4885NCF1 1108/4885KDM4E 761/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 LTA4H 2159/4885NCF1 1648/4885KDM4E 649/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 LTA4H 2448/4885NCF1 1388/4885KDM4E 1116/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 LTA4H 2448/4885NCF1 1388/4885KDM4E 1116/4885
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 LTA4H 539/4885NCF1 1485/4885KDM4E 1443/4885

“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.