SCHEMBL18176972

SCHEMBL18176972

CC(C)c1cc(C2CCC2)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.49
CDK2 P24941 10/20 0.38
CCNA2 P20248 8/20 0.38
CCNA1 P78396 8/20 0.38
HCAR3 P49019 1/20 0.37
IGF1R P08069 3/20 0.36
CDK9 P50750 2/20 0.36
CDK5 Q00535 2/20 0.36
CCNT1 O60563 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK5R1 Q15078 1/20 0.35
DAO P14920 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
SCHEMBL15831691 0.96 HCAR2 (0.45) HCAR2CDK2CCNA2CCNA1HCAR3
SCHEMBL17565544 0.95 HCAR2 (0.44) HCAR2CDK2CCNA2CCNA1HCAR3
SCHEMBL12505818 0.92 HCAR2 (0.46) HCAR2CDK2CCNA2CCNA1HCAR3
SCHEMBL31466557 0.86 MKNK1 (0.49) HCAR2CDK2CCNA2CCNA1IGF1R
SCHEMBL23103095 0.84 DAO (0.44) HCAR2CDK2CCNA2CCNA1HCAR3
SCHEMBL14925555 0.80 CCNT1 (0.35) HCAR2CDK2CCNA2CCNA1IGF1R
SCHEMBL22815463 0.80 HCAR2 (0.41) HCAR2CDK2CCNA2CCNA1HCAR3
SCHEMBL22643866 0.76 JAK2 (0.38) HCAR2CDK9CCNT1DAOL3MBTL1
SCHEMBL26549015 0.75 IGF1R (0.52) HCAR2CDK2CCNA2CCNA1IGF1R
SCHEMBL17412844 0.75 HCAR2 (0.53) HCAR2CDK2CCNA2CCNA1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783531-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-10 US disclosed
US-9783531-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-10 US disclosed
US-20160311813-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-27 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-20160311813-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, TYRO3, BTK HCAR2 1356/4885CDK2 311/4885CCNA2 1682/4885

“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.