SCHEMBL5367396

SCHEMBL5367396

O=c1[nH]c2ccccc2cc1-c1cc2cc(S(=O)(=O)N3CCNCC3)ccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 1.00
PKM P14618 1/20 0.57
CHEK1 O14757 2/20 0.56
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5357068 0.94 KDR (0.88) KDRPKMCHEK1MEN1KMT2A
SCHEMBL5355012 0.88 KDR (1.00) KDRPKMCHEK1MEN1KMT2A
SCHEMBL5357658 0.88 KDR (0.78) KDRPKMCHEK1MEN1KMT2A
SCHEMBL5357342 0.85 KDR (0.74) KDRPKMCHEK1
SCHEMBL5355363 0.84 KDR (0.85) KDRCHEK1MEN1KMT2APOLB
SCHEMBL5367711 0.83 KDR (0.70) KDRPKMCHEK1MEN1KMT2A
SCHEMBL5355698 0.83 KDR (1.00) KDRCHEK1MEN1KMT2AHSD17B10
SCHEMBL14590416 0.82 KDR (0.88) KDRPKMCHEK1MEN1KMT2A
SCHEMBL5370747 0.81 KDR (0.67) KDRPKMMEN1KMT2APOLB
SCHEMBL5352066 0.79 KDR (0.64) KDRPKMCHEK1MEN1KMT2A

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
US-7169788-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-01-30 US claimed
US-20040220216-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2004-11-04 US claimed
WO-2003037252-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-08 WO claimed
US-7169788-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-01-30 US disclosed
US-7169788-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-01-30 US disclosed
US-7169788-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-01-30 US disclosed
US-20040220216-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2004-11-04 US disclosed
WO-2003037252-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-08 WO 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 (1 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-20040220216-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885PKM 1083/4885CHEK1 499/4885

“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.