SCHEMBL9201826

SCHEMBL9201826

CCn1nc(C(=O)OC)cc1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.56
RPS6KB1 P23443 1/20 0.56
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.41
EPHX2 P34913 2/20 0.40
MAPK1 P28482 1/20 0.39
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
FAAH O00519 1/20 0.38
PTGER4 P35408 1/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38

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
SCHEMBL1234127 0.86 AURKA (0.52) AURKARPS6KB1GAARAB9AKDM4E
SCHEMBL1739608 0.83 AURKA (0.42) AURKARPS6KB1GAARAB9AKDM4E
SCHEMBL23115927 0.83 AURKA (0.39) AURKARPS6KB1GAARAB9AKDM4E
SCHEMBL27634515 0.82 LMNA (0.45) AURKARPS6KB1GAARAB9AKDM4E
SCHEMBL20516624 0.81 KDM4E (0.41) AURKARPS6KB1GAARAB9AKDM4E
SCHEMBL15273714 0.81 GAA (0.42) AURKARPS6KB1GAARAB9AKDM4E
SCHEMBL2360638 0.80 AURKA (0.60) AURKARPS6KB1GAAKDM4EALDH1A1
SCHEMBL6078641 0.80 AURKA (0.56) AURKARPS6KB1KDM4EALDH1A1LMNA
SCHEMBL20419549 0.80 AURKA (0.40) AURKARPS6KB1GAAKDM4EALDH1A1
SCHEMBL17627058 0.80 GAA (0.47) AURKARPS6KB1GAARAB9AKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
US-20160317493-A1 Novel Compounds and Pharmaceutical Compositions Thereof for the Treatment of Cystic Fibrosis GILEAD SCIENCES, INC. 2016-11-03 US disclosed
US-7625888-B2 Fused triazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20070293511-A1 Crf Receptor Antagonists and Methods SB PHARMCO PUERTO RICO INC. AND NEUROCRINE BIOSCIENCES, INC., A CORPORATION 2007-12-20 US disclosed
US-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME CORP. 2007-09-06 US disclosed
EP-0087780-B2 Pyrazolesulfonylurea derivative, preparation thereof, herbicide containing said derivative as active ingredient and herbicidal method by use thereof NISSAN CHEMICAL IND LTD (JP) 1995-02-15 EP disclosed
US-4954164-A Pyrazolesulfonylurea derivatives, preparation thereof, herbicide containing said derivative as active ingredient and herbicidal method by use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-04 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 (3 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-20070293511-A1 Crf Receptor Antagonists and Methods CRHR1, CRHR2, CRH AURKA 4828/4885RPS6KB1 4086/4885GAA 1986/4885
US-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 AURKA 3600/4885RPS6KB1 4335/4885GAA 103/4885
US-20160317493-A1 Novel Compounds and Pharmaceutical Compositions Thereof for the Treatment of Cystic Fibrosis CFTR, ABCB11, ABCC5 AURKA 4019/4885RPS6KB1 1028/4885GAA 505/4885

“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.