SCHEMBL15907259

SCHEMBL15907259

N#Cc1cc(C#Cc2nnc3cccc(Cl)n23)cc(C(=O)Nc2ccc(C(N)=O)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.39
GRM5 P41594 1/20 0.37
EGLN2 Q96KS0 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
PLAU P00749 1/20 0.36
NAMPT P43490 1/20 0.36
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP7 Q9BQF6 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
SCHEMBL15907253 0.89 BCAT2 (0.45) BCAT2GRM5PLAUNPC1CASP3
SCHEMBL15907249 0.81 KIT (0.48) BCAT2
SCHEMBL18323134 0.81 BCAT2 (0.42) BCAT2PLAUNPC1CASP3RAB9A
SCHEMBL15907305 0.77 CSF1R (0.38) GRM5EGLN2PLAUCASP3SMN1; SMN2
SCHEMBL15907248 0.76 ABL1 (0.48)
SCHEMBL18323174 0.76 ABL1 (0.55)
SCHEMBL15907265 0.73 GPR6 (0.38) GRM5EGLN2
SCHEMBL15907184 0.71 BCAT2 (0.49) BCAT2PLAUNPC1CASP3RAB9A
SCHEMBL15907310 0.70 CSF1R (0.40) SIRT2PLAUCASP3SENP7
SCHEMBL15907238 0.70 KMT2A (0.45) NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed
US-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU "FUSION PHARMA" (RU) 2014-07-31 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-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon ABL1, ABL2, MAP3K6 BCAT2 687/4885GRM5 3666/4885EGLN2 2592/4885

“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.