SCHEMBL15907246

SCHEMBL15907246

CCC1=CC(C(=O)Nc2cccc(C#Cc3nnc4ccccn34)c2)=CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PTPN11 Q06124 1/20 0.36
PDGFRB P09619 5/20 0.36
KDR P35968 5/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
RXFP1 Q9HBX9 3/20 0.35
MAPT P10636 1/20 0.34
KIT P10721 1/20 0.33
DDR1 Q08345 1/20 0.33
DDR2 Q16832 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
SCHEMBL15907301 0.87 KDR (0.36) PTPN11PDGFRBKDR
SCHEMBL15907286 0.85 HTT (0.36) RAB9APTPN11PDGFRBKDRHTT
SCHEMBL15907316 0.83 CSF1R (0.35) SMN1; SMN2PTPN11PDGFRBKDRRXFP1
SCHEMBL15907243 0.76 PDGFRB (0.49) GAARAB9ASMN1; SMN2PTPN11PDGFRB
SCHEMBL15907278 0.75 PDE4B (0.33) RXFP1DDR1DDR2
SCHEMBL15907264 0.73 ABL1 (0.36) KDRKITDDR1
SCHEMBL18323148 0.73 GRM5 (0.41) GAARAB9ASMN1; SMN2PTPN11PDGFRB
SCHEMBL15907245 0.72 ABL1 (0.43) LMNAKITDDR1DDR2
SCHEMBL15907309 0.71 CSF1R (0.37) RAB9AKITDDR1
SCHEMBL15907238 0.69 KMT2A (0.45) RAB9ANPC1RXFP1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GAA 1776/4885RAB9A 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.