SCHEMBL1925009

SCHEMBL1925009

c1cncc(-c2cnc[nH]2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 1.00
CYP3A4 P08684 3/20 1.00
CYP2E1 P05181 2/20 1.00
CYP2B6 P20813 2/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
IDO1 P14902 7/20 0.67
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 1/20 0.56
HPGDS O60760 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
ASIC3 Q9UHC3 1/20 0.52
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
LTA4H P09960 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL191327 0.80
SCHEMBL311306 0.80 IDO1 (1.00) CYP2A6CYP3A4CYP2E1CYP2B6CYP2D6
Hydrochloric Acid SCHEMBL31723290 0.78 IDO1 (0.95) CYP2A6CYP3A4CYP2E1CYP2B6CYP2D6
Ethylene SCHEMBL17502485 0.77 CYP3A4 (0.62) CYP2A6CYP3A4CYP2E1CYP2B6CYP2D6
SCHEMBL27577902 0.77 IDO1 (0.91) CYP2A6CYP3A4CYP2E1CYP2B6CYP2D6
SCHEMBL2650627 0.76 IDO1 (0.68) CYP2A6CYP3A4CYP2E1CYP2B6CYP2D6
SCHEMBL29422979 0.75 CYP2A6 (0.60) CYP2A6CYP3A4CYP2E1CYP2B6CYP2D6
SCHEMBL5138939 0.75 CYP2A6 (0.60) CYP2A6CYP3A4CYP2E1CYP2B6CYP2D6
SCHEMBL17800997 0.75 IDO1 (0.75) CYP2A6CYP3A4CYP2E1CYP2B6CYP2D6
Hydrochloric Acid SCHEMBL27258266 0.75 IDO1 (0.60) CYP2A6CYP3A4CYP2E1CYP2B6CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210252011-A1 TREATMENT OF GLIOBLASTOMA WITH FASN INHIBITORS CORNELL UNIVERSITY 2021-08-19 US disclosed
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2021-07-15 US disclosed
US-10995078-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2021-05-04 US disclosed
CN-109126875-B Carbon 60-bidentate nitrogen heterocyclic carbene palladium (0) compound and preparation method and application thereof 洛阳师范学院 2021-03-16 CN disclosed
EP-3587406-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2021-01-27 EP disclosed
US-20200347025-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2020-11-05 US disclosed
US-10800750-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2020-10-13 US disclosed
US-10472342-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-11-12 US disclosed
US-10457655-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-10-29 US disclosed
US-10450286-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-10-22 US disclosed
US-20080051421-A1 Pyrazolo-pyridine WICHMANN JUERGEN 2008-02-28 US disclosed
US-7329662-B2 Pyrazolo-pyridine HOFFMANN-LA ROCHE INC. (US) 2008-02-12 US disclosed
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists HOFFMANN-LA ROCHE INC. 2007-10-04 US disclosed
WO-2007110337-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO disclosed
CN-1890242-A Pyrazolo and imidazo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-01-03 CN disclosed
EP-1670801-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2006-06-21 EP disclosed
WO-2006047167-A2 9 ALKYL AND 9 ALKYLIDENYL 6-0 ALKYL-11, 12 CARBAMATE KETOLIDE ANTIMICROBIALS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 WO disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 US disclosed
WO-2005040171-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
CN-87105680-A Imidazolium compounds and preparation method thereof and comprise the pharmaceutical composition of this compound 1988-04-27 CN 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-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists P2RX2, P2RY2, P2RX1 CYP2A6 1160/4885CYP3A4 750/4885CYP2E1 2071/4885
US-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR CYP2A6 312/4885CYP3A4 223/4885CYP2E1 296/4885
US-20200347025-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD CYP2A6 523/4885CYP3A4 428/4885CYP2E1 141/4885
US-10472342-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD CYP2A6 523/4885CYP3A4 428/4885CYP2E1 141/4885
US-20210252011-A1 TREATMENT OF GLIOBLASTOMA WITH FASN INHIBITORS AIFM2, FABP7, FASN CYP2A6 4693/4885CYP3A4 4729/4885CYP2E1 4431/4885
US-10450286-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD CYP2A6 523/4885CYP3A4 428/4885CYP2E1 141/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR CYP2A6 312/4885CYP3A4 223/4885CYP2E1 296/4885
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD CYP2A6 594/4885CYP3A4 574/4885CYP2E1 193/4885
US-10995078-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD CYP2A6 523/4885CYP3A4 428/4885CYP2E1 141/4885
US-10457655-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD CYP2A6 523/4885CYP3A4 428/4885CYP2E1 141/4885
US-10800750-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD CYP2A6 523/4885CYP3A4 428/4885CYP2E1 141/4885

“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.