SCHEMBL149448

SCHEMBL149448

CS(=O)(=O)N1CCN(Cc2cccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.51
CHEK1 O14757 5/20 0.48
NPSR1 Q6W5P4 1/20 0.43
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL172902 0.83 CHEK1 (0.67) KDRCHEK1
SCHEMBL142580 0.83 CHEK1 (0.59) KDRCHEK1
Hydrochloric Acid SCHEMBL5677881 0.82 CHEK1 (0.66) KDRCHEK1
SCHEMBL143698 0.80 NPSR1 (0.43) KDRCHEK1NPSR1CDK5CDK5R1
SCHEMBL5079425 0.80 CHEK1 (0.62) KDRCHEK1
SCHEMBL145628 0.80 KDR (0.44) KDRCHEK1KDM4E
SCHEMBL146796 0.78 KDR (0.60) KDRCHEK1
SCHEMBL14311030 0.78 NPSR1 (0.50) NPSR1KDM4EALOX15HTTCYP2D6
SCHEMBL5082073 0.76 KDR (0.76) KDRCHEK1
Tert-Butyl Formate SCHEMBL27486793 0.76 CHEK1 (0.57) KDRCHEK1

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-6927293-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2005-08-09 US claimed
US-20040192725-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-09-30 US claimed
WO-2003020276-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-13 WO claimed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 US disclosed
US-6927293-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2005-08-09 US disclosed
WO-2005065686-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR ADIPOGEN PHARMACEUTICALS PTY LIMITED (AU) 2005-07-21 WO disclosed
US-20040192725-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-09-30 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-20040192725-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CHEK1 499/4885NPSR1 4046/4885
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 KDR 1077/4885CHEK1 3154/4885NPSR1 3871/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 KDR 1077/4885CHEK1 3154/4885NPSR1 3871/4885

“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.