SCHEMBL57825

SCHEMBL57825

CC1(C)OB(c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)OC1(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.61
PDGFRB P09619 7/20 0.61
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
FLT3 P36888 2/20 0.51
AURKB Q96GD4 2/20 0.51
NTRK1 P04629 1/20 0.51
RET P07949 1/20 0.51
LTK P29376 1/20 0.51
CDK8 P49336 1/20 0.51
NTRK3 Q16288 1/20 0.51
MAPK14 Q16539 1/20 0.51
NTRK2 Q16620 1/20 0.51
IDH1 O75874 1/20 0.48
AURKA O14965 1/20 0.48
KIT P10721 1/20 0.48
DGAT1 O75907 1/20 0.48
TEK Q02763 2/20 0.47

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
SCHEMBL31212719 1.00 KDR (0.61) KDRPDGFRBCA12CA1CA2
SCHEMBL57891 0.89 KDR (0.55) KDRPDGFRBCA12CA1CA2
SCHEMBL12346307 0.89 MEN1 (0.53) KDRPDGFRBCA12CA1CA2
SCHEMBL14033133 0.88 KDR (0.57) KDRPDGFRBCA12CA1CA2
SCHEMBL58537 0.88 CHRNA7 (0.51) KDRPDGFRBCA12CA1CA2
SCHEMBL2236665 0.87 KDR (0.49) KDRPDGFRBCA12CA1CA2
SCHEMBL59004 0.87 KDR (0.55) KDRPDGFRBCA12CA1CA2
SCHEMBL59016 0.87 KDR (0.53) KDRPDGFRBCA12CA1CA2
SCHEMBL59878 0.87 KDR (0.53) KDRPDGFRBCA12CA1CA2
SCHEMBL25422756 0.86 PDGFRB (0.50) KDRPDGFRBCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12365685-B2 Substituted fused aromatic ring derivative, composition and use thereof SHENZHEN TARGETRX, INC. (CN) 2025-07-22 US disclosed
US-20220098204-A1 SUBSTITUTED FUSED AROMATIC RING DERIVATIVE, COMPOSITION AND USE THEREOF SHENZHEN TARGETRX, INC. (CN) 2022-03-31 US disclosed
CN-111574521-A Substituted aromatic fused ring derivatives, compositions and uses thereof 深圳市塔吉瑞生物医药有限公司 2020-08-25 CN disclosed
US-8940778-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. (US) 2015-01-27 US disclosed
US-8901152-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2014-12-02 US disclosed
US-8829185-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2014-09-09 US disclosed
US-8829185-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2014-09-09 US disclosed
US-8829185-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2014-09-09 US disclosed
EP-1912988-B1 7-SUBSTITUTED AZA-INDAZOLES, COMPOSITIONS CONTAINING SAME, PRODUCTION METHOD AND USE THEREOF AVENTIS PHARMA SA (FR) 2014-04-16 EP disclosed
US-8642776-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. (US) 2014-02-04 US disclosed
EP-1674469-A1 Sulfonamido-macrocycles as Tie2 inhibitors Schering Aktiengesellschaft (DE) 2006-06-28 EP disclosed
WO-2006061493-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-06-15 WO disclosed
EP-1648905-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS Abbott Laboratories (US) 2006-04-26 EP disclosed
EP-1638941-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-03-29 EP disclosed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US disclosed
WO-2005010009-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-02-03 WO disclosed
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 US disclosed
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. 2005-01-27 US disclosed
WO-2004113304-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-29 WO disclosed
US-20040235892-A1 Indazole and benzisoxazole kinase inhibitors ABBOTT LABORATORIES 2004-11-25 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 (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-20220098204-A1 SUBSTITUTED FUSED AROMATIC RING DERIVATIVE, COMPOSITION AND USE THEREOF BRAF, ALK, TYRO3 KDR 249/4885PDGFRB 842/4885CA12 3270/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK KDR 724/4885PDGFRB 549/4885CA12 4509/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885PDGFRB 295/4885CA12 4864/4885
US-20040235892-A1 Indazole and benzisoxazole kinase inhibitors ABL1, MAP3K19, MAP3K1 KDR 800/4885PDGFRB 631/4885CA12 4510/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885PDGFRB 295/4885CA12 4864/4885
US-12365685-B2 Substituted fused aromatic ring derivative, composition and use thereof BRAF, ALK, TYRO3 KDR 249/4885PDGFRB 842/4885CA12 3270/4885

“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.