SCHEMBL8262979

SCHEMBL8262979

O=C(NC1CCN(CCF)CC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 3/20 0.48
▸ CCNT1 O60563 2/20 0.48
▸ CDK9 P50750 2/20 0.48
▸ CDK5R1 Q15078 2/20 0.48
▸ DYRK1A Q13627 5/20 0.47
▸ WNT1 P04628 3/20 0.47
▸ CDK14 O94921 12/20 0.46
▸ CCNY Q8ND76 12/20 0.46
▸ HTR4 Q13639 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CDK4 P11802 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ CASK O14936 1/20 0.44
▸ CDKL5 O76039 1/20 0.44
▸ CCNB2 O95067 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ MAK P20794 1/20 0.44

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
SCHEMBL8212911 0.90 CCNT1 (0.48) CDK5CCNT1CDK9CDK5R1DYRK1A
SCHEMBL955297 0.90 DYRK1A (0.54) DYRK1AWNT1HTR4CYP3A4CYP2D6
SCHEMBL30689622 0.89 CDK5 (0.47) CDK5CCNT1CDK9CDK5R1DYRK1A
SCHEMBL24757744 0.89 CDK14 (0.49) CDK5CCNT1CDK9CDK5R1DYRK1A
SCHEMBL22594205 0.88 CDK14 (0.48) CDK5CCNT1CDK9CDK5R1DYRK1A
SCHEMBL1286714 0.87 CDK5 (0.53) CDK5CCNT1CDK9CDK5R1DYRK1A
SCHEMBL22582205 0.87 CDK5 (0.46) CDK5CCNT1CDK9CDK5R1DYRK1A
Bromide SCHEMBL22582181 0.87 CDK14 (0.47) CDK5CCNT1CDK9CDK5R1DYRK1A
SCHEMBL30689624 0.87 CDK5 (0.45) CDK5CCNT1CDK9CDK5R1DYRK1A
SCHEMBL22582208 0.86 CDK5 (0.46) CDK5CCNT1CDK9CDK5R1DYRK1A

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
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 — — US 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 CDK5 39/4885CCNT1 48/4885CDK9 15/4885

“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.

Send feedback