SCHEMBL5355012

SCHEMBL5355012

CN1CCN(S(=O)(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 1.00
CHEK1 O14757 2/20 0.55
PKM P14618 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.47
BLM P54132 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
SCHEMBL14590416 0.94 KDR (0.88) KDRCHEK1PKMMEN1KMT2A
SCHEMBL5356996 0.88 KDR (0.79) KDRPKMMEN1KMT2AKDM4E
SCHEMBL5371286 0.88 KDR (0.79) KDRMEN1KMT2AKDM4ETSHR
SCHEMBL5367396 0.88 KDR (1.00) KDRCHEK1PKMMEN1KMT2A
SCHEMBL5356295 0.85 KDR (0.73) KDRCHEK1PKM
SCHEMBL14590417 0.83 KDR (0.71) KDRCHEK1MEN1KMT2AKDM4E
SCHEMBL5355363 0.83 KDR (0.85) KDRCHEK1MEN1KMT2APOLB
SCHEMBL5357068 0.82 KDR (0.88) KDRCHEK1PKMMEN1KMT2A
SCHEMBL5355698 0.82 KDR (1.00) KDRCHEK1MEN1KMT2A
SCHEMBL5355475 0.81 KDR (0.68) KDRPKMMEN1KMT2AKDM4E

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 5/4885CHEK1 499/4885PKM 1083/4885

“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.