SCHEMBL5513652

SCHEMBL5513652

CC(C)(C)c1cc(N)cc(C(C)(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 2/20 0.35
HMGCR P04035 2/20 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
SCHEMBL23344929 0.89 HSP90AA1 (0.48) HSD17B10KDM4EALDH1A1TSHRGAA
SCHEMBL29739588 0.85 KDM4E (0.46) HSD17B10KDM4EALDH1A1TSHRMAPT
SCHEMBL22549255 0.84 HSD17B10 (0.41) HSD17B10KDM4EHRH4GAAMAPT
SCHEMBL14595541 0.82 HSD17B10 (0.48) HSD17B10KDM4EALDH1A1HRH4
SCHEMBL18007575 0.78 HSD17B10 (0.72) HSD17B10KDM4EHRH4GAAMAPT
SCHEMBL37832 0.74 ALDH1A1 (0.40) HSD17B10KDM4EALDH1A1TSHRHRH4
SCHEMBL305093 0.74 GABRA1 (0.43) HSD17B10KDM4EALDH1A1TSHRHRH4
SCHEMBL23113220 0.74 CHRNA7 (0.35) KDM4E
Bromide SCHEMBL10759230 0.72 HSD17B10 (0.39) HSD17B10KDM4EALDH1A1TSHRHRH4
SCHEMBL22543799 0.72 HSD17B10 (0.39) HSD17B10KDM4EHRH4HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US disclosed
US-7081454-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2006-07-25 US disclosed
US-20060079518-A1 Novel tyrosine kinase inhibitors WITTMAN MARK D 2006-04-13 US disclosed
EP-1545543-A2 NOVEL TYROSINE KINASES INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
WO-2004031401-A2 NOVEL TYROSINE KINASES INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
US-20040044203-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-04 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 (2 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-20040044203-A1 Novel tyrosine kinase inhibitors ABL1, YES1, FER HSD17B10 1265/4885KDM4E 1067/4885ALDH1A1 1038/4885
US-20060079518-A1 Novel tyrosine kinase inhibitors ABL1, FER, ERBB2 HSD17B10 1366/4885KDM4E 991/4885ALDH1A1 1282/4885

“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.