SCHEMBL15907240

SCHEMBL15907240

COc1ncncc1NC(=O)c1cccc(C#Cc2nnc3ccccn23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KIT P10721 1/20 0.39
DDR1 Q08345 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
CSF1R P07333 1/20 0.36
EGFR P00533 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LCK P06239 2/20 0.35
TEK Q02763 2/20 0.35
ABL1 P00519 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
SCHEMBL15907315 0.87 KIT (0.39) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL15907308 0.87 CSF1R (0.38) SMN1; SMN2KDM4EKITDDR1MAPT
SCHEMBL15907282 0.85 CHEK1 (0.38) NPC1RAB9AKDM4EKITDDR1
SCHEMBL15907191 0.77 EGFR (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL15907268 0.75 CSF1R (0.37) KITDDR1CYP1A2CSF1RGRM5
SCHEMBL15907285 0.75 GPR6 (0.36) SMN1; SMN2KDM4EDDR1ALDH1A1HPGD
SCHEMBL15907281 0.72 KIT (0.44) KITDDR1CSF1RABL1
SCHEMBL15907250 0.72 NPC1 (0.37) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL18323140 0.72 CHEK1 (0.36) NPC1RAB9AKITDDR1MAPT
SCHEMBL15907300 0.69 ATR (0.37) KITDDR1POLBCSF1RLCK

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 NPC1 3370/4885RAB9A 1864/4885SMN1; SMN2 2627/4885

“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.