SCHEMBL15907159

SCHEMBL15907159

Cc1ccc(C(=O)O)cc1C#Cc1nnc2ccccn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
YWHAG P61981 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KIT P10721 1/20 0.39
DDR1 Q08345 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABL1 P00519 11/20 0.38
LMNA P02545 1/20 0.37
TOP2A P11388 1/20 0.36
HAO1 Q9UJM8 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
SCHEMBL15800809 0.87 ABL1 (0.42) NPC1RAB9ASMN1; SMN2KITDDR1
SCHEMBL15907158 0.87 KIT (0.55) KITDDR1ABL1
SCHEMBL588526 0.80 ABL1 (0.54) KITDDR1ABL1
SCHEMBL15907245 0.76 ABL1 (0.43) KITDDR1ABL1LMNA
SCHEMBL14616920 0.73 HAO1 (0.50) NPC1RAB9AKITDDR1HAO1
SCHEMBL3416733 0.69 KIT (0.53) KITDDR1
SCHEMBL15907241 0.69 PLAU (0.39) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28049640 0.68 TSHR (0.46) MEN1POLBKMT2ASMN1; SMN2ALDH1A1
SCHEMBL15907069 0.68 KDM4E (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4103699 0.68 ABL1 (0.49) KITDDR1TDP1ABL1

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 2 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-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 MEN1 1500/4885POLB 2184/4885HSP90AA1 853/4885

“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.