SCHEMBL3587206

SCHEMBL3587206

COc1ccc(Cn2cc(N)c(-c3nn(C)c(=O)n3Cc3ccc(OC)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
AADAT Q8N5Z0 1/20 0.42
P2RX4 Q99571 1/20 0.41
TYMS P04818 1/20 0.41
RGS4 P49798 1/20 0.40
PNP P00491 1/20 0.40
GFER P55789 1/20 0.40
PDE1B Q01064 4/20 0.40
PDE1A P54750 3/20 0.40
PDE1C Q14123 3/20 0.40
CMA1 P23946 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3579583 0.83 SMN1; SMN2 (0.46) ALDH1A1MAPTPDE1BPDE1APDE1C
SCHEMBL3576115 0.82 DCTPP1 (0.47) KDM4EALDH1A1MAPTALOX15GAA
SCHEMBL13349110 0.81 PDE1B (0.37) KDM4EALDH1A1MAPTALOX15AADAT
SCHEMBL17459011 0.78 MEN1 (0.49) KDM4EALDH1A1MAPTALOX15GAA
SCHEMBL7258447 0.74 MEN1 (0.47) KDM4EALDH1A1MAPTALOX15AADAT
SCHEMBL3588294 0.73 TP53 (0.48) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29670548 0.73 GAA (0.52) KDM4EALDH1A1MAPTALOX15GAA
SCHEMBL25027880 0.72 PTGS2 (0.45) KDM4EALDH1A1MAPTALOX15AADAT
SCHEMBL4100807 0.70 ALDH1A1 (0.49) ALDH1A1ALOX15GAAAADATCMA1
SCHEMBL15652306 0.69 KDM4E (0.46) KDM4EALDH1A1MAPTALOX15GAA

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 KDM4E 990/4885ALDH1A1 3914/4885MAPT 447/4885

“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.