SCHEMBL2221082

SCHEMBL2221082

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 3/20 0.38
PRMT5 O14744 2/20 0.37
WDR77 Q9BQA1 2/20 0.37
NOTUM Q6P988 1/20 0.34
CHRNB2 P17787 8/20 0.34
CHRNA4 P43681 8/20 0.34
CHRNB4 P30926 6/20 0.34
CHRNA3 P32297 6/20 0.34
GRM5 P41594 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL2268612 0.88 PRMT5 (0.38) ELOVL1PRMT5WDR77CHRNB2CHRNA4
SCHEMBL13274878 0.81 FADS1 (0.37) ELOVL1NOTUMGRM5
SCHEMBL2275486 0.80 CYP2C9 (0.33) PRMT5WDR77CHRNB2CHRNA4ALDH1A1
SCHEMBL13275049 0.76 ELOVL1 (0.38) ELOVL1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL15923836 0.74 CHRNB2 (0.39) ELOVL1PRMT5WDR77CHRNB2CHRNA4
SCHEMBL13274527 0.74 MET (0.39) ALDH1A1
SCHEMBL13449327 0.73 PARP1 (0.38) ELOVL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13275101 0.73 OXTR (0.32) ELOVL1GRM5
SCHEMBL16161689 0.72 SMN1; SMN2 (0.37) ELOVL1OPRM1OPRL1ALDH1A1LMNA
SCHEMBL16161688 0.72 SMN1; SMN2 (0.37) ELOVL1OPRM1OPRL1ALDH1A1LMNA

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 ELOVL1 3832/4885PRMT5 621/4885WDR77 1049/4885

“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.