SCHEMBL18211804

SCHEMBL18211804

CNc1cccc(-c2cnc(CO)s2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.47
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
KDR P35968 2/20 0.41
HSD17B1 P14061 3/20 0.40
HSD17B2 P37059 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B13 Q7Z5P4 1/20 0.40
NTRK1 P04629 1/20 0.38
NQO2 P16083 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
PLK1 P53350 1/20 0.37
LOXL3 P58215 1/20 0.36
SLC5A2 P31639 2/20 0.36
SYK P43405 1/20 0.35

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
SCHEMBL18211814 0.86 LOXL2 (0.45) LOXL2ERCC5FEN1KDRHSD17B1
SCHEMBL12875717 0.81 HSD17B1 (0.51) LOXL2ERCC5FEN1KDRHSD17B1
SCHEMBL2226003 0.80 ERCC5 (0.63) LOXL2ERCC5FEN1KDRHSD17B1
SCHEMBL17549579 0.79 KDR (0.53) LOXL2ERCC5FEN1KDR
SCHEMBL18211810 0.79 KDR (0.45) LOXL2KDRHSD17B1HSD17B2CYP3A4
SCHEMBL18211806 0.77 SYK (0.42) LOXL2KDRHSD17B1HSD17B2CYP3A4
SCHEMBL1198760 0.75 LOXL2 (0.48) LOXL2ERCC5FEN1
SCHEMBL1198167 0.70 SLC6A2 (0.41) LOXL2ERCC5FEN1SLC5A2
SCHEMBL16676751 0.68 PRMT6 (0.58) CYP3A4CYP2C9
SCHEMBL23374172 0.67 PTPRB (0.42) LOXL2ERCC5FEN1HSD17B13SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670196-B2 Thiazole-substituted aminoheteroaryls as Spleen Tyrosine Kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-06-06 US disclosed
US-20160326156-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-10 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 (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-20160326156-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, BTK, TYRO3 LOXL2 2446/4885ERCC5 4864/4885FEN1 4703/4885

“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.