SCHEMBL2273431

SCHEMBL2273431

Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4noc(CC5CCOCC5)n4)c3)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
CNR2 P34972 1/20 0.39
IRAK1 P51617 6/20 0.38
IRAK4 Q9NWZ3 3/20 0.38
RAB9A P51151 4/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 3/20 0.36
LMNA P02545 2/20 0.36
IGF1R P08069 1/20 0.35
MAPK1 P28482 2/20 0.35
KIT P10721 1/20 0.34
CARM1 Q86X55 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM1 P11229 1/20 0.33
PDE9A O76083 1/20 0.33

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
SCHEMBL2270320 0.92 IRAK4 (0.37) CNR1CNR2IRAK1IRAK4RAB9A
SCHEMBL2264608 0.87 RAB9A (0.37) RAB9AALDH1A1NPC1LMNAMAPK1
SCHEMBL12518123 0.87 ALDH1A1 (0.44) IRAK1IRAK4RAB9AALDH1A1NPC1
SCHEMBL2261213 0.86 RAB9A (0.38) RAB9ANPC1LMNAMAPK1MEN1
SCHEMBL2271679 0.85 RAB9A (0.36) RAB9AALDH1A1NPC1LMNAMAPK1
SCHEMBL2271901 0.84 PPARA (0.39) RAB9ANPC1LMNAMAPK1MEN1
SCHEMBL2265885 0.84 DAO (0.42) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL2221573 0.83 RAB9A (0.36) RAB9AALDH1A1NPC1LMNAIGF1R
SCHEMBL13275328 0.82 MET (0.41) IRAK1IRAK4
SCHEMBL2266939 0.80 FGFR1 (0.40) IRAK1IRAK4MAPK1KITCARM1

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
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO claimed
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

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 CNR1 3725/4885CNR2 4107/4885IRAK1 584/4885

“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.