SCHEMBL3588294

SCHEMBL3588294

COc1ccc(Cn2cc(NC(=O)c3cc(Cl)ccc3OC)c(-c3nn(C)c(=O)n3Cc3ccc(OC)cc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
JAK2 O60674 6/20 0.46
JAK1 P23458 6/20 0.46
TYK2 P29597 4/20 0.46
JAK3 P52333 4/20 0.46
MAPT P10636 2/20 0.45
KCNMA1 Q12791 3/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL3585667 0.88 MEN1 (0.48) TP53RXFP1JAK2JAK1MAPT
SCHEMBL13349099 0.87 TP53 (0.41) TP53RXFP1JAK2JAK1TYK2
SCHEMBL23495054 0.75 JAK2 (0.77) TP53RXFP1JAK2JAK1TYK2
SCHEMBL3587206 0.73 KDM4E (0.43) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5317422 0.73 NPC1 (0.46) TP53JAK2MAPTMEN1KMT2A
SCHEMBL3576115 0.70 DCTPP1 (0.47) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL5313924 0.70 MEN1 (0.45) TP53RXFP1MAPTLMNAMEN1
SCHEMBL30692670 0.68 ALDH1A1 (0.80) TP53RXFP1MAPTKCNMA1LMNA
SCHEMBL24438368 0.68 ALDH1A1 (0.80) TP53RXFP1MAPTKCNMA1LMNA
SCHEMBL3577140 0.67 KCNMA1 (0.50) JAK2JAK1TYK2JAK3MAPT

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 TP53 483/4885RXFP1 2255/4885JAK2 734/4885

“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.