SCHEMBL4068561

SCHEMBL4068561

CN(c1nc(Nc2ccc(N3CCNCC3)cn2)ncc1Br)C1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.59
CCND1 P24385 14/20 0.59
CCND3 P30281 9/20 0.59
CDK2 P24941 9/20 0.59
CCNA2 P20248 8/20 0.59
CDK6 Q00534 8/20 0.59
CCNT1 O60563 2/20 0.59
CDK9 P50750 2/20 0.59
CDK1 P06493 2/20 0.59
CCNB1 P14635 1/20 0.59
CDK7 P50613 1/20 0.59
CCNH P51946 1/20 0.59
CCND2 P30279 6/20 0.56
CCNA1 P78396 4/20 0.56
FGFR1 P11362 4/20 0.56
FGFR2 P21802 4/20 0.56
FGFR4 P22455 4/20 0.56
FGFR3 P22607 4/20 0.56
GAK O14976 1/20 0.56
FECH P22830 1/20 0.56

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
SCHEMBL4065005 0.88 CDK4 (0.55) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL22184408 0.81 CDK4 (0.54) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL19380067 0.80 CDK4 (0.52) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL4066142 0.79 CDK4 (0.59) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL4068670 0.77 IGF1R (0.57) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL4068750 0.77 CDK4 (0.64) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL20748440 0.75 CDK4 (0.52) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL11977220 0.75 CDK4 (0.71) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL29386941 0.75 CDK4 (1.00) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL18453987 0.75 CDK4 (1.00) CDK4CCND1CCND3CDK2CCNA2

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
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP disclosed
EP-1590341-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2005-11-02 EP 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
WO-2004065378-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 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-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

“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.