SCHEMBL5006782

SCHEMBL5006782

O=C(O)c1n[nH]cc1NC(=O)c1c(Cl)ccc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CDK14 O94921 8/20 0.41
CCNY Q8ND76 8/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
HSPA5 P11021 1/20 0.34
EPHB3 P54753 1/20 0.34
MAPK7 Q13164 1/20 0.34

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
SCHEMBL954955 0.87 KMT2A (0.51) CDK14CCNYMEN1KMT2AJAK2
SCHEMBL5006763 0.83 CDK1 (0.40) CDK14CCNYMEN1KMT2AJAK2
SCHEMBL4488401 0.83 CDK14 (0.48) CDK14CCNYMEN1KMT2AJAK2
SCHEMBL1645592 0.82 JAK2 (0.52) GAACDK14CCNYMEN1KMT2A
SCHEMBL8219606 0.82 TYK2 (0.52) CDK14CCNYMEN1KMT2ATYK2
SCHEMBL5011543 0.81 CDK14 (0.36) CDK14CCNYMEN1KMT2AJAK2
SCHEMBL4355457 0.81 JAK2 (0.50) GAACDK14CCNYMEN1KMT2A
SCHEMBL5007605 0.80 CDK14 (0.46) HTTCDK14CCNYMEN1KMT2A
SCHEMBL8261342 0.78 CDK14 (0.46) CDK14CCNYMEN1KMT2AJAK2
SCHEMBL13993603 0.76 CCNT1 (0.42) CDK14CCNYMAPK7

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-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 TTR 2831/4885GAA 4194/4885HTT 4489/4885

“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.