SCHEMBL4069172

SCHEMBL4069172

CC(=O)c1cnc(Nc2ccc(N3CCNCC3)cn2)cc1NC1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.59
CCND1 P24385 15/20 0.59
CCND3 P30281 9/20 0.59
CCND2 P30279 7/20 0.59
CDK6 Q00534 7/20 0.50
CDK2 P24941 5/20 0.50
CCNA2 P20248 4/20 0.50
CCNT1 O60563 3/20 0.50
CDK9 P50750 3/20 0.50
CCNA1 P78396 3/20 0.50
FLT3 P36888 2/20 0.50
CDK16 Q00536 2/20 0.50
CAMK2G Q13555 2/20 0.50
CAMK2D Q13557 2/20 0.50
Q6ZSR9 Q6ZSR9 2/20 0.50
PRKD2 Q9BZL6 2/20 0.50
CDK1 P06493 2/20 0.50
CHEK1 O14757 1/20 0.50
DAPK3 O43293 1/20 0.50
CCNT2 O60583 1/20 0.50

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
SCHEMBL4065148 0.91 CHEK1 (0.51) CDK4CCND1CCND3CCND2CDK6
SCHEMBL4072418 0.87 CDK4 (0.62) CDK4CCND1CCND3CCND2CDK6
SCHEMBL4068660 0.85 CDK4 (0.52) CDK4CCND1CCND3CCND2CDK6
SCHEMBL4068662 0.85 CDK4 (0.52) CDK4CCND1CCND3CCND2CDK6
SCHEMBL4066444 0.83 CDK4 (0.52) CDK4CCND1CCND3CCND2CDK6
SCHEMBL4067757 0.83 CDK4 (0.64) CDK4CCND1CCND3CCND2CDK6
SCHEMBL4068176 0.83 CDK4 (0.56) CDK4CCND1CCND3CCND2CDK6
SCHEMBL4066866 0.82 CDK4 (0.56) CDK4CCND1CCND3CCND2CDK6
SCHEMBL4065082 0.81 MAPT (0.60) CDK4CCND1CCND3CCND2CDK6
SCHEMBL4065417 0.80 CDK4 (0.52) CDK4CCND1CCND3CCND2CDK6

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
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP claimed
US-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders PFIZER INC 2004-11-25 US claimed
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP disclosed
US-20090030005-A1 Combinations for the treatment of cancer AMGEN INC. (US) 2009-01-29 US disclosed
US-20050222163-A1 Combinations of signal transduction inhibitors PFIZER INC 2005-10-06 US disclosed
US-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders PFIZER INC 2004-11-25 US 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-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders CDK4, CCNA1, CCNI CDK4 1/4885CCND1 11/4885CCND3 32/4885
US-20050222163-A1 Combinations of signal transduction inhibitors CDK4, CDK3, CDK2 CDK4 1/4885CCND1 66/4885CCND3 103/4885

“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.