SCHEMBL3591678

SCHEMBL3591678

O=C(Nc1c[nH]nc1-c1cnco1)c1c(Cl)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
CYP3A4 P08684 1/20 0.42
CDK14 O94921 6/20 0.39
CCNY Q8ND76 6/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 2/20 0.38
IMPDH2 P12268 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
PKM P14618 2/20 0.38
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
CASK O14936 1/20 0.38
CDKL5 O76039 1/20 0.38

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
SCHEMBL13314750 0.74 NPC1 (0.49) JAK2JAK1TYK2CYP3A4CDK14
SCHEMBL25649653 0.73 KMT2A (0.49) JAK2JAK1TYK2CYP3A4CDK14
SCHEMBL8260751 0.72 CDK14 (0.51) JAK2JAK1TYK2CYP3A4CDK14
SCHEMBL954955 0.72 KMT2A (0.51) JAK2JAK1TYK2CYP3A4CDK14
SCHEMBL12288164 0.71 CDK14 (0.53) JAK2JAK1TYK2CYP3A4CDK14
SCHEMBL8261624 0.71 CDK14 (0.50) JAK2JAK1TYK2CYP3A4CDK14
SCHEMBL8261502 0.71 CDK14 (0.55) JAK2JAK1TYK2CYP3A4CDK14
SCHEMBL8304793 0.70 FOXO1 (0.46) MEN1KMT2APOLBRAB9AKDM4E
SCHEMBL1070972 0.70 KMT2A (0.55) JAK2JAK1TYK2CYP3A4CDK14
SCHEMBL5380195 0.69 JAK2 (0.37) JAK2JAK1TYK2CYP3A4CDK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
EP-1836188-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-26 EP disclosed
WO-2006070198-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO 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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK1, CDK3, CDK13 JAK2 734/4885JAK1 219/4885TYK2 331/4885

“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.