SCHEMBL2221660

SCHEMBL2221660

CCCn1cnc(-c2cccc(Cc3nn(-c4cccc(C#N)c4)ccc3=O)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.38
DRD2 P14416 2/20 0.35
ADORA2A P29274 2/20 0.35
CREBBP Q92793 1/20 0.34
MET P08581 5/20 0.33
NQO2 P16083 1/20 0.33
DRD3 P35462 1/20 0.32
MAPK10 P53779 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 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
SCHEMBL13275134 0.93 GRM5 (0.39) GRM5ADORA2ACREBBPMETNQO2
SCHEMBL2221088 0.90 PGR (0.33) GRM5
SCHEMBL2222081 0.85 HDAC1 (0.36) MEN1KMT2A
SCHEMBL2220586 0.84 HDAC1 (0.33) CYP1A2CYP3A4CYP2D6
SCHEMBL13274575 0.83 HDAC1 (0.33) GRM5ADORA2AMET
SCHEMBL13275084 0.82 IGF1R (0.35) MET
SCHEMBL13274895 0.82 MET (0.44) GRM5METNQO2MAPK10MEN1
SCHEMBL2270753 0.82 IGF1R (0.37) CREBBP
SCHEMBL13275321 0.81 GRM5 (0.41) GRM5ADORA2AMETNQO2CACNA2D1
SCHEMBL13275228 0.80 IGF1R (0.34) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US 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
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 GRM5 1161/4885DRD2 4636/4885ADORA2A 2646/4885

“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.