SCHEMBL5007633

SCHEMBL5007633

COc1ccc(F)c(F)c1C(=O)Nc1c[nH]nc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
GPR6 P46095 1/20 0.39
POLB P06746 3/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
BRAF P15056 2/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 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
SCHEMBL8261338 0.86 POLB (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1GLA
SCHEMBL13993710 0.81 CCNA2 (0.43) GPR6CCNA2CDK2MAPK1
SCHEMBL13993720 0.81 CCNA2 (0.43) GPR6POLBCCNA2CDK2CDK1
SCHEMBL8261339 0.80 TAS1R3 (0.48) KMT2AMEN1ALDH1A1POLBTP53
SCHEMBL5006763 0.79 CDK1 (0.40) KMT2AMEN1POLBCCNA2CDK2
SCHEMBL1646081 0.79 GPR35 (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL2801156 0.79 KMT2A (0.49) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL5007605 0.79 CDK14 (0.46) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL955039 0.78 MEN1 (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL5011543 0.78 CDK14 (0.36) KMT2AMEN1POLBCCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US claimed
EP-1846395-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK'S AND GSK'S Astex Therapeutics Limited (GB) 2007-10-24 EP claimed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO claimed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US disclosed
EP-1846395-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK'S AND GSK'S Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 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-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S GSK3A, CDK11A, CDK1 KMT2A 108/4885MEN1 4051/4885SMN1; SMN2 3655/4885

“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.