SCHEMBL15907188

SCHEMBL15907188

C#Cc1cc(C(=O)NC2=CCC(C)=C2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.37
KCNQ3 O43525 4/20 0.36
KCNQ2 O43526 4/20 0.36
TRPA1 O75762 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CSF1R P07333 1/20 0.33
KCNQ5 Q9NR82 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
LMNA P02545 1/20 0.33
CASP3 P42574 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
SCHEMBL15907212 0.78 GRM4 (0.39) KITKCNQ3KCNQ2NPC1RAB9A
SCHEMBL15907189 0.78 HDAC3 (0.41) HDAC1HDAC6NPC1RAB9AMEN1
SCHEMBL15907190 0.72 GRM5 (0.35)
SCHEMBL18323168 0.70 BCAT2 (0.54) KCNQ3KCNQ2NPC1RAB9AMEN1
SCHEMBL18323167 0.70 ALDH1A1 (0.59) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL17818364 0.70 TAS1R3 (0.53) NPC1RAB9AMEN1KMT2A
SCHEMBL11355733 0.68 CA1 (0.47) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL31098108 0.68 CA1 (0.47) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL15907197 0.68
SCHEMBL13400510 0.68 MEN1 (0.49) KCNQ3KCNQ2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KIT 577/4885KCNQ3 2455/4885KCNQ2 2205/4885

“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.