SCHEMBL155708

SCHEMBL155708

CC(C)(C)OC(=O)n1nc(I)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.44
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BCHE P06276 1/20 0.39
ELANE P08246 6/20 0.39
F2 P00734 3/20 0.39
PLAU P00749 3/20 0.39
SCN9A Q15858 2/20 0.38
DTYMK P23919 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
PIM1 P11309 1/20 0.37

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
SCHEMBL29626660 1.00 MAP2K4 (0.44) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL8216089 0.84 ELANE (0.52) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL5822952 0.82 MAP2K4 (0.47) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL30438051 0.82 MAP2K4 (0.47) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL2674135 0.82 MAP2K4 (0.44) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL7016168 0.82 L3MBTL1 (0.44) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL28157040 0.82 MAP2K4 (0.44) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL14739081 0.82 HTR6 (0.46) MAP2K4KDM4EALDH1A1ELANEGABRG2
SCHEMBL177566 0.82 ESR2 (0.40) MAP2K4KDM4EALDH1A1ELANEGABRG2
SCHEMBL30343304 0.82 GABRG2 (0.38) MAP2K4KDM4EALDH1A1BCHEELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450271-B Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2024-09-20 CN disclosed
CN-117794529-A POLO-like kinase 4 inhibitors 欧瑞克制药公司 2024-03-29 CN disclosed
CN-117430589-A 2-aminopyrimidine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-01-23 CN disclosed
US-20220387395-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION NURIX THERAPEUTICS, INC. 2022-12-08 US disclosed
US-11370770-B2 3-arylindazoles as selective MEK4 inhibitors NORTHWESTERN UNIVERSITY (US) 2022-06-28 US disclosed
CN-114450271-A Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2022-05-06 CN disclosed
EP-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 EP disclosed
EP-3057956-B1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA FARBER CANCER INST INC (US) 2021-05-05 EP disclosed
EP-3057956-B1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA FARBER CANCER INST INC (US) 2021-05-05 EP disclosed
US-20210061803-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2021-03-04 US disclosed
US-20080058515-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-03-06 US disclosed
US-20080058515-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-03-06 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
CN-1829729-A Novel compounds TANABE SEIYAKU CO (JP) 2006-09-06 CN disclosed
EP-1651658-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT TRANSPORTER TANABE SEIYAKU CO., LTD. (JP) 2006-05-03 EP disclosed
EP-1648448-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-26 EP disclosed
US-20050233988-A1 Novel compounds TANABE SEIYAKU CO., LTD. (JP) 2005-10-20 US disclosed
WO-2005012326-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT TRANSPORTER TANABE SEIYAKU CO., LTD. (JP) 2005-02-10 WO disclosed
WO-2005011681-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO disclosed
US-20040242559-A1 Novel indole derivatives, preparation thereof as medicinal products and pharmaceutical compositions, and especially as KDR inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-02 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 (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-20050233988-A1 Novel compounds CYP1B1, CYP4B1, CYP2B6 MAP2K4 895/4885CHRM2 2474/4885CHRM4 3214/4885
US-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 MAP2K4 4302/4885CHRM2 4029/4885CHRM4 4657/4885
US-20040242559-A1 Novel indole derivatives, preparation thereof as medicinal products and pharmaceutical compositions, and especially as KDR inhibitors FLT4, KDR, CYP3A4 MAP2K4 1032/4885CHRM2 53/4885CHRM4 12/4885
US-20220387395-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION CBLB, CBL, CBLC MAP2K4 2669/4885CHRM2 3288/4885CHRM4 3711/4885
US-20080058515-A1 Chemical Compounds SGK1, SGK2, SGK3 MAP2K4 559/4885CHRM2 4694/4885CHRM4 4760/4885
US-20210061803-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 MAP2K4 72/4885CHRM2 4791/4885CHRM4 4771/4885
US-11370770-B2 3-arylindazoles as selective MEK4 inhibitors MAP4K3, MAPK4, MAP3K4 MAP2K4 39/4885CHRM2 4780/4885CHRM4 3728/4885

“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.