SCHEMBL110763

SCHEMBL110763

NCc1ccccc1-c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.50
TAAR1 Q96RJ0 2/20 0.48
CYP1A2 P05177 3/20 0.41
CYP2E1 P05181 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C8 P10632 3/20 0.41
CYP2A6 P11509 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2B6 P20813 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
POLB P06746 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 4/20 0.39
HPGD P15428 4/20 0.39
ALOX15 P16050 4/20 0.39

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
SCHEMBL477452 0.80 MAPT (0.46) POLBALDH1A1MAPTKDM4EMEN1
SCHEMBL11281731 0.80 MAOB (0.39) TAAR1ADORA2AADORA1POLBALDH1A1
SCHEMBL7430432 0.80 ALDH1A1 (0.39) TAAR1POLBALDH1A1MAPTKDM4E
SCHEMBL9454470 0.80 ALDH1A1 (0.39) TAAR1POLBALDH1A1MAPTKDM4E
SCHEMBL28311859 0.77 PTPN1 (0.42) TAAR1POLBALDH1A1MAPTKDM4E
SCHEMBL28546393 0.77 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2D6POLBALDH1A1
SCHEMBL30038773 0.77 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2D6POLBALDH1A1
SCHEMBL3570032 0.77 TAAR1 (0.42) TAAR1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL5500798 0.76 ALDH1A1 (0.38) ADORA2AADORA1POLBALDH1A1MAPT
SCHEMBL417395 0.76 PRMT6 (0.49) CYP3A4POLBALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112745314-B Preparation and synthesis method of aromatic amine compound with specific HIF-2 alpha inhibition effect 辽宁医学诊疗科技研发中心有限公司 2023-05-02 CN claimed
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
CN-112745314-B Preparation and synthesis method of aromatic amine compound with specific HIF-2 alpha inhibition effect 辽宁医学诊疗科技研发中心有限公司 2023-05-02 CN disclosed
CN-114380753-A Aryl or heteroaryl substituted quinoxaline-2, 3-diamine compound and antibacterial application thereof 中国医学科学院药物研究所 2022-04-22 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
CN-112745314-A Preparation and synthesis method of aromatic amine compound with specific HIF-2 alpha inhibition effect 辽宁医学诊疗科技研发中心有限公司 2021-05-04 CN 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
EP-2776432-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2017-03-29 EP 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
EP-2820020-B1 PYRAZOLO-TRIAZINE DERIVATIVES AS SELECTIVE CYCLIN-DEPENDENT KINASE INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2016-04-06 EP disclosed
WO-2009029617-A1 DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 WO disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 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
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-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-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-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 (6 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 DPP4 383/4885TAAR1 319/4885CYP1A2 1131/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 DPP4 1264/4885TAAR1 4375/4885CYP1A2 3835/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 DPP4 383/4885TAAR1 319/4885CYP1A2 1131/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 DPP4 520/4885TAAR1 336/4885CYP1A2 1078/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 DPP4 520/4885TAAR1 336/4885CYP1A2 1078/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 DPP4 1124/4885TAAR1 2880/4885CYP1A2 2850/4885

“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.