SCHEMBL2268612

SCHEMBL2268612

N#Cc1cncc(-n2ccc(=O)c(CCl)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
CHRNB2 P17787 9/20 0.37
CHRNA4 P43681 9/20 0.37
CHRNB4 P30926 7/20 0.37
CHRNA3 P32297 7/20 0.37
ELOVL1 Q9BW60 2/20 0.36
GRM5 P41594 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
CCR9 P51686 1/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL2221082 0.88 ELOVL1 (0.38) PRMT5WDR77CHRNB2CHRNA4CHRNB4
SCHEMBL10283765 0.83 RIPK1 (0.36) GRM5
SCHEMBL10283764 0.83 GRM5 (0.51) GRM5
SCHEMBL10283766 0.82 ALDH1A1 (0.41)
SCHEMBL10283763 0.81 FADS1 (0.38) ELOVL1GRM5
SCHEMBL13274946 0.80 KMT2A (0.40) PRMT5WDR77CHRNB2CHRNA4CHRNB4
SCHEMBL13274537 0.80 CHRNB2 (0.33) PRMT5WDR77CHRNB2CHRNA4CHRNB4
SCHEMBL13275049 0.75 ELOVL1 (0.38) ELOVL1CHRM4
SCHEMBL15923836 0.75 CHRNB2 (0.39) PRMT5WDR77CHRNB2CHRNA4CHRNB4
SCHEMBL13274585 0.73 MTOR (0.45) PRMT5

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 PRMT5 621/4885WDR77 1049/4885CHRNB2 4564/4885

“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.