SCHEMBL2266636

SCHEMBL2266636

CCn1cc(-n2ccc(=O)c(C(C)c3cccc(-c4ncc(O)cn4)c3)n2)cn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.33
GRIN2B Q13224 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL13449346 0.90 HSD17B13 (0.34) HSD17B13GRIN2B
SCHEMBL12517951 0.90 RXRA (0.34) GRIN2B
SCHEMBL13449359 0.90 MET (0.32) ALDH1A1
SCHEMBL13274715 0.89 GRIA1 (0.36) HSD17B13
SCHEMBL13449368 0.89 ALKBH1 (0.32)
SCHEMBL13449443 0.88 XPO1 (0.32)
SCHEMBL2264274 0.88 HSD17B13 (0.37) HSD17B13MEN1KMT2A
SCHEMBL13449354 0.88 IRAK4 (0.35)
SCHEMBL12517964 0.88 ALKBH1 (0.37) ALDH1A1
SCHEMBL13449360 0.87 MET (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 HSD17B13 3914/4885ALDH1A1 1673/4885GRIN2B 2866/4885

“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.