SCHEMBL15907304

SCHEMBL15907304

COc1nnc(NC(=O)c2cccc(C(C)=O)c2)cc1C#Cc1nnc2ccc(N)cn12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
ALDH1A1 P00352 3/20 0.35
CSF1R P07333 5/20 0.35
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KIT P10721 1/20 0.33
DDR1 Q08345 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
GRM5 P41594 1/20 0.32

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 0.87 NPC1 (0.37) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL18323210 0.81 PTGS1 (0.35) NPC1RAB9ACSF1RLMNAMEN1
SCHEMBL15907317 0.78 CSF1R (0.33) CSF1RTDP1TP53
SCHEMBL15907302 0.78 IKBKB (0.46) NPC1RAB9AALDH1A1CSF1RTDP1
SCHEMBL15907232 0.75 RAB9A (0.46) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL18323188 0.74 MAP3K5 (0.34) CSF1RTDP1KITDDR1TP53
SCHEMBL15907300 0.72 ATR (0.37) CSF1RKITDDR1POLB
SCHEMBL18323194 0.69 NPC1 (0.35) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL18323145 0.69 ALDH1A1 (0.47) NPC1RAB9AALDH1A1TDP1MEN1
SCHEMBL15907315 0.68 KIT (0.39) NPC1RAB9AALDH1A1CSF1RKIT

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 1864/4885ALDH1A1 3414/4885

“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.