SCHEMBL6386299

SCHEMBL6386299

O=C(Cc1ccc2ccccc2c1)Nc1cc(C2CCN(Cc3ccccc3)CC2)[nH]n1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.78
CCNA2 P20248 10/20 0.78
CCNA1 P78396 10/20 0.78
CDK5 Q00535 3/20 0.78
CCNE1 P24864 2/20 0.78
CDK5R1 Q15078 2/20 0.78
CCNB2 O95067 1/20 0.78
CCNE2 O96020 1/20 0.78
CDK1 P06493 1/20 0.78
CCNB1 P14635 1/20 0.78
CCNB3 Q8WWL7 1/20 0.78
SIGMAR1 Q99720 2/20 0.62
CDK9 P50750 2/20 0.59
USP30 Q70CQ3 1/20 0.58
NPY5R Q15761 1/20 0.53
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
ACKR3 P25106 1/20 0.51

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
SCHEMBL5867410 0.88 CDK2 (1.00) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL6387681 0.86 CDK2 (0.91) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL25225939 0.86 CDK2 (0.91) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL6389757 0.85 CDK2 (0.72) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL6389529 0.85 CDK2 (0.89) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867719 0.80 CDK2 (1.00) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867728 0.80 CDK2 (0.84) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867762 0.79 CDK2 (0.73) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867444 0.79 CDK2 (0.81) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5868214 0.79 CDK2 (0.72) CDK2CCNA2CCNA1CDK5CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209297-A1 Pyrazole derivatives PFIZER INC 2005-09-22 US disclosed
EP-1313710-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Pfizer Products Inc. (US) 2003-05-28 EP disclosed
US-20020103185-A1 Pyrazole derivatives PFIZER PRODUCTS INC. 2002-08-01 US disclosed
WO-2002018346-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-03-07 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 (2 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-20050209297-A1 Pyrazole derivatives CDK1, CDK3, CDK5 CDK2 7/4885CCNA2 482/4885CCNA1 175/4885
US-20020103185-A1 Pyrazole derivatives CDK1, CDK5, CDK3 CDK2 5/4885CCNA2 558/4885CCNA1 251/4885

“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.