SCHEMBL15907247

SCHEMBL15907247

COc1nnc(NC(=O)c2ccc(C(N)=O)cc2)cc1C#Cc1nnc2ccccn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 3/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.36
F10 P00742 2/20 0.35
POLB P06746 2/20 0.34
CSF1R P07333 3/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
RET P07949 1/20 0.33
MET P08581 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
SCHEMBL15907250 0.86 NPC1 (0.37) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL15907242 0.86 RAB9A (0.39) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL15907296 0.84 CHEK1 (0.36) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL15907254 0.78 ABL1 (0.49) CSF1RJAK2MAP4K4ABL1RET
SCHEMBL18323133 0.78 ABL1 (0.57) CSF1RJAK2MAP4K4ABL1RET
SCHEMBL15907244 0.77 NPC1 (0.40) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL15907233 0.76 MEN1 (0.40) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL15907304 0.76 NPC1 (0.35) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL15907243 0.75 PDGFRB (0.49) RAB9ASMN1; SMN2KDM4EPOLBKDR
SCHEMBL15907241 0.75 PLAU (0.39) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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.