SCHEMBL15907214

SCHEMBL15907214

C#Cc1cc(C#N)cc(NC(=O)c2cccc(C(C)=O)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MEN1 O00255 5/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 2/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPK14 Q16539 1/20 0.47
HDAC3 O15379 1/20 0.46
EGFR P00533 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46

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
SCHEMBL15907182 0.90 KMT2A (0.60) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL15907199 0.85 HDAC3 (0.60) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL15907176 0.80 KMT2A (0.61) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL15907215 0.77 KMT2A (0.46) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL13023195 0.77 PTGS1 (0.55) KMT2AMEN1ALDH1A1L3MBTL1POLB
SCHEMBL13023381 0.77 HDAC1 (0.64) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL3838614 0.76 HDAC1 (0.66) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL5973949 0.75 L3MBTL1 (0.70) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL13878433 0.75 KMT2A (0.76) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL4316729 0.74 KMT2A (0.62) KMT2AMEN1NPC1RAB9AL3MBTL1

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 KMT2A 1272/4885MEN1 1500/4885NPC1 3370/4885

“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.