SCHEMBL15907282

SCHEMBL15907282

COc1ncncc1NC(=O)c1cccc(C#Cc2nnc3c(C(=O)O)cccn23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.38
PIM1 P11309 1/20 0.38
MAPK8 P45983 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KCNH2 Q12809 1/20 0.36
PKM P14618 1/20 0.36
SYK P43405 2/20 0.36
KDM4E B2RXH2 1/20 0.35
KIT P10721 1/20 0.35
DDR1 Q08345 1/20 0.35

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
SCHEMBL15907285 0.90 GPR6 (0.36) CHEK1PIM1MAPK8CLK4MEN1
SCHEMBL15907281 0.87 KIT (0.44) CHEK1PIM1MAPK8CLK4KIT
SCHEMBL18323140 0.87 CHEK1 (0.36) CHEK1PIM1MAPK8CLK4MEN1
SCHEMBL15907240 0.85 NPC1 (0.42) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL15907308 0.81 CSF1R (0.38) MEN1KMT2AKDM4EKITDDR1
SCHEMBL15907284 0.80 MAP3K5 (0.32)
SCHEMBL15907315 0.80 KIT (0.39) ALDH1A1NPC1RAB9AKDM4EKIT
SCHEMBL15907292 0.78 GPR6 (0.38) HTT
SCHEMBL15907191 0.75 EGFR (0.43) MEN1KMT2AALDH1A1HTTNPC1
SCHEMBL18323617 0.70 MAP3K5 (0.34) KMT2AIRAK4

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 CHEK1 519/4885PIM1 536/4885MAPK8 92/4885

“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.