SCHEMBL15907288

SCHEMBL15907288

CC(=O)c1cccc(C(=O)Nc2ccc(C)c(C#Cc3nnc4c(C(=O)O)cccn34)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.41
KMT2A Q03164 4/20 0.40
POLB P06746 1/20 0.40
SRC P12931 1/20 0.39
CYP1A2 P05177 1/20 0.38
ABL1 P00519 3/20 0.38
MEN1 O00255 3/20 0.38
PKM P14618 1/20 0.38
KIT P10721 5/20 0.38
DDR1 Q08345 5/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
ABL2 P42684 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
PYGM P11217 1/20 0.37
LCK P06239 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37

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
SCHEMBL18323162 0.90 SMO (0.40) SMOKMT2APOLBMEN1PKM
SCHEMBL15907289 0.86 CSF1R (0.43) ABL1KITDDR1LCKKDR
SCHEMBL15907287 0.82 HTT (0.41) SMOKMT2APOLBMEN1PKM
SCHEMBL15907283 0.79 RAB9A (0.41) KMT2AMEN1
SCHEMBL18323208 0.78 ABL1 (0.69) ABL1KITABL2KDR
SCHEMBL15907281 0.75 KIT (0.44) ABL1KITDDR1
SCHEMBL18323161 0.75 POLB (0.38) SMOKMT2APOLBABL1MEN1
SCHEMBL18323207 0.71 GRM5 (0.39) PPARGPPARANR1H4KDR
SCHEMBL15907207 0.70 KMT2A (0.53) KMT2APOLBMEN1KCNK3KCNK9
SCHEMBL15907282 0.68 CHEK1 (0.38) KMT2APOLBMEN1PKMKIT

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 SMO 2008/4885KMT2A 1272/4885POLB 2184/4885

“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.