SCHEMBL15907265

SCHEMBL15907265

COc1ncncc1C(=O)Nc1cc(C#N)cc(C#Cc2nnc3cccc(Cl)n23)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 9/20 0.38
MAP3K5 Q99683 1/20 0.36
EGLN2 Q96KS0 2/20 0.34
P2RX1 P51575 1/20 0.33
MALT1 Q9UDY8 2/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
GRM4 Q14833 1/20 0.32
PPARG P37231 1/20 0.32
GRM5 P41594 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
SCHEMBL15907263 0.83 KIT (0.40) MAP3K5
SCHEMBL18323151 0.82 MAP3K5 (0.37) GPR6MAP3K5MALT1KCNQ3KCNQ2
SCHEMBL15907292 0.79 GPR6 (0.38) GPR6MAP3K5MALT1
SCHEMBL15907213 0.75 PDE4A (0.43) GPR6MAP3K5MALT1GRM5
SCHEMBL15907268 0.70 CSF1R (0.37) GPR6EGLN2GRM5
SCHEMBL15907202 0.68 MEN1 (0.50) MAP3K5P2RX1
SCHEMBL15907306 0.67 KMT2A (0.41) EGLN2
SCHEMBL15907279 0.66 MAP3K5 (0.39) GPR6MAP3K5MALT1
SCHEMBL15907285 0.66 GPR6 (0.36) GPR6
SCHEMBL15907310 0.66 CSF1R (0.40)

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 GPR6 983/4885MAP3K5 9/4885EGLN2 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.