SCHEMBL147947

SCHEMBL147947

Cc1nn(C)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA2B P29275 1/20 0.56
GPR3 P46089 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ELANE P08246 1/20 0.44
SLC9A1 P19634 1/20 0.43
KEAP1 Q14145 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
DDB1 Q16531 4/20 0.41
CRBN Q96SW2 4/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL30506312 1.00 GLS (0.56) GLSADORA2AADORA2BGPR3KDM4E
Ammonia Solution, Strong SCHEMBL27739630 0.98 GLS (0.55) GLSADORA2AADORA2BGPR3KDM4E
Hydrochloric Acid SCHEMBL29176227 0.96 GLS (0.53) GLSADORA2AADORA2BGPR3KDM4E
Formamide SCHEMBL11970874 0.89 GLS (0.47) GLSADORA2AADORA2BGPR3KDM4E
SCHEMBL28999290 0.89 GLS (0.47) GLSADORA2AADORA2BGPR3KDM4E
SCHEMBL14493345 0.84 ADORA2A (0.48) GLSADORA2AADORA2BKDM4EMAPT
SCHEMBL7737033 0.76 GPR3 (0.44) GLSGPR3KDM4EMAPTALDH1A1
SCHEMBL18463756 0.76 GLS (0.50) GLSGPR3KDM4EMAPTALDH1A1
SCHEMBL823488 0.76 GSK3B (0.45) GLSGPR3KDM4EALDH1A1HSD17B10
SCHEMBL22415815 0.76 GLS (0.50) GLSGPR3KDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104892588-B Photochromic indazole thiophene hybrid-type perfluorinated cyclopentene compound and its synthetic method and application 江西科技师范大学 2017-07-07 CN claimed
CN-104892588-A Photochromic indazole-thiophene hybrid type perfluorinated cyclopentene compound and preparation method and application thereof UNIV JIANGXI NORMAL SCI & TECH 2015-09-09 CN claimed
US-RE37781-E1 VIRICIDES, PROTEASE INHIBITOR DUPONT PHARMACEUTICALS COMPANY 2002-07-02 US claimed
US-5877170-A VIRICIDES DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-02 US claimed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US claimed
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof INVENTISBIO CO LTD (CN) 2024-06-27 US disclosed
WO-2024020084-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-25 WO disclosed
WO-2023249872-A1 SUBSTITUTED FUSED BICYCLIC COMPOUNDS AND RELATED METHODS OF TREATMENT ALKERMES, INC. (US) 2023-12-28 WO disclosed
WO-2023217879-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-20230322683-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-12 US disclosed
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-07-12 US disclosed
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-07-12 US disclosed
US-7238696-B2 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-07-03 US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 US disclosed
US-5670526-A ANTIINFLAMMATORY AGENT, IMMUNOSUPPRESSANT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US 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 (5 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-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof EGFR, WEE1, DPYD GLS 217/4885ADORA2A 1863/4885ADORA2B 1509/4885
US-20230322683-A1 HETEROCYCLIC COMPOUND PARK7, SMN1; SMN2, SNCA GLS 1560/4885ADORA2A 2781/4885ADORA2B 1058/4885
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 GLS 33/4885ADORA2A 3515/4885ADORA2B 2455/4885
US-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP GLS 1689/4885ADORA2A 4609/4885ADORA2B 4378/4885
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, HTR3C GLS 1149/4885ADORA2A 202/4885ADORA2B 469/4885

“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.