SCHEMBL2223595

SCHEMBL2223595

Cn1cc(-n2ccc(=O)c(Cc3cccc(C#N)c3)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.43
MET P08581 2/20 0.39
IDH1 O75874 1/20 0.39
ALK Q9UM73 1/20 0.39
TAS2R8 Q9NYW2 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ALKBH1 Q13686 1/20 0.37
RET P07949 1/20 0.37
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ROCK2 O75116 1/20 0.36
EP300 Q09472 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL13465630 0.85 FYN (0.45) METTAS2R8HRH3CYP11B1CYP11B2
SCHEMBL2223676 0.84 ENPP2 (0.42) ALK
SCHEMBL173258 0.84 PARP1 (0.38) METALK
SCHEMBL2274025 0.84 ENPP2 (0.34) CREBBPMET
SCHEMBL2221117 0.81 LMNA (0.42) CREBBP
SCHEMBL13275216 0.81 CREBBP (0.38) CREBBPMET
SCHEMBL2222179 0.80 MET (0.40) MET
SCHEMBL13275592 0.80 CYP19A1 (0.42) METALKCYP19A1
SCHEMBL13274792 0.80 MET (0.36) METRETEP300
SCHEMBL2271335 0.80 ENPP2 (0.35) MET

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 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
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 CREBBP 1209/4885MET 2/4885IDH1 957/4885

“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.