SCHEMBL4811071

SCHEMBL4811071

Ic1n[nH]c2c1Cc1ccccc1-2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.61
PDGFRB P09619 1/20 0.56
CDK1 P06493 1/20 0.56
CDK2 P24941 1/20 0.56
CHEK1 O14757 1/20 0.54
HIF1A Q16665 5/20 0.48
MAPK8 P45983 2/20 0.47
MAPK9 P45984 2/20 0.47
PLK4 O00444 1/20 0.47
DAPK3 O43293 1/20 0.47
PIM1 P11309 1/20 0.47
PDGFRA P16234 1/20 0.47
LTK P29376 1/20 0.47
MAP2K2 P36507 1/20 0.47
FLT3 P36888 1/20 0.47
CSNK1A1 P48729 1/20 0.47
TDO2 P48775 1/20 0.47
CDK8 P49336 1/20 0.47
CDK5 Q00535 1/20 0.47
MAP2K1 Q02750 1/20 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
SCHEMBL6968182 0.76 KDR (1.00) KDRPDGFRBCDK1CDK2CHEK1
SCHEMBL29819445 0.76 KDR (1.00) KDRPDGFRBCDK1CDK2CHEK1
SCHEMBL14279024 0.73 CHEK1 (0.46) KDRCHEK1EIF2AK1
SCHEMBL4814005 0.73 KCNJ1 (0.36) KDRPDGFRBCDK1CDK2CHEK1
SCHEMBL4812055 0.73 CHEK1 (0.62) KDRCHEK1EIF2AK1
SCHEMBL4813385 0.73 CHEK1 (0.40) KDRPDGFRBCDK1CDK2CHEK1
SCHEMBL7092264 0.72 KDR (0.69) KDRPDGFRBCDK1CDK2CHEK1
SCHEMBL4811938 0.72 CHEK1 (0.51) KDRPDGFRBCHEK1
SCHEMBL4809861 0.72 CHEK1 (0.52) CHEK1
SCHEMBL11861663 0.72 KDR (0.66) KDRPDGFRBCDK1CDK2CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150975-A1 COMPOUNDS USED AS KINASE INHIBITORS AND APPLICATION THEREOF TYK MEDICINES (ZHENGZHOU), INC. (CN) 2023-05-18 US disclosed
US-20230150975-A1 COMPOUNDS USED AS KINASE INHIBITORS AND APPLICATION THEREOF TYK MEDICINES (ZHENGZHOU), INC. (CN) 2023-05-18 US disclosed
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
EP-1603885-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2005-12-14 EP disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 US disclosed
WO-2004080973-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-23 WO disclosed
EP-1268437-A1 INHIBITORS OF PROTEIN KINASES Knoll GmbH (DE) 2003-01-02 EP disclosed
WO-2002030908-A1 INHIBITORS OF PROTEIN KINASES KNOLL GMBH (DE) 2002-04-18 WO disclosed
US-6297238-B1 3-ARYL PYRAZOLES WITH 4,5(3,4)-BICYCLIC RING FUSION WHICH ARE INHIBITORS OF PROTEIN KINASES PARTICULARLY TYROSINE KINASES AND SERINE/THREONINE KINASES BASF AKTIENGESELLSCHAFT (DE) 2001-10-02 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 (2 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-20230150975-A1 COMPOUNDS USED AS KINASE INHIBITORS AND APPLICATION THEREOF EGFR, ERBB2, ERBB3 KDR 86/4885PDGFRB 143/4885CDK1 368/4885
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 KDR 1024/4885PDGFRB 871/4885CDK1 11/4885

“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.