SCHEMBL15907244

SCHEMBL15907244

NC(=O)c1ccc(C(=O)Nc2ccc(F)c(C#Cc3nnc4ccccn34)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
GRM4 Q14833 1/20 0.39
ABL1 P00519 9/20 0.38
ABL2 P42684 1/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 2/20 0.37
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL15907241 0.94 PLAU (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL15907243 0.83 PDGFRB (0.49) RAB9ASMN1; SMN2POLBKDM4EKDR
SCHEMBL18323183 0.80 CSF1R (0.41) NPC1RAB9ASMN1; SMN2POLBFGFR1
SCHEMBL18323161 0.78 POLB (0.38) NPC1RAB9ASMN1; SMN2POLBABL1
SCHEMBL18323134 0.77 BCAT2 (0.42) NPC1RAB9ASMN1; SMN2KDRMEN1
SCHEMBL15907242 0.77 RAB9A (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL18323649 0.76 FGFR1 (0.55) ABL1ABL2FGFR1KDR
SCHEMBL14306277 0.75 FGFR1 (0.69) ABL1FGFR1KDR
SCHEMBL15907158 0.74 KIT (0.55) ABL1
SCHEMBL18323173 0.72 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1POLB

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.