SCHEMBL4067711

SCHEMBL4067711

CC(=O)c1cnc(Nc2ccc(N3CCNCC3)cn2)nc1Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 8/20 0.58
CDK6 Q00534 7/20 0.58
CDK9 P50750 5/20 0.58
CCNK O75909 4/20 0.58
CCNA2 P20248 3/20 0.57
CDK2 P24941 3/20 0.57
CDK4 P11802 9/20 0.56
CCND1 P24385 7/20 0.56
CCND2 P30279 2/20 0.56
STAT6 P42226 1/20 0.56
CTSC P53634 2/20 0.55
CTSL P07711 1/20 0.55
CTSK P43235 1/20 0.55
CCNT1 O60563 3/20 0.54
CDK1 P06493 2/20 0.54
CCNB1 P14635 2/20 0.54
CDK7 P50613 1/20 0.54
CCNH P51946 1/20 0.54
CYP3A4 P08684 1/20 0.52
MAPK8 P45983 2/20 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
SCHEMBL4070500 0.88 STAT6 (0.68) CCND3CDK6CDK9CCNKCCNA2
SCHEMBL4071177 0.85 IGF1R (0.62) CCND3CDK6CDK9CCNKCCNA2
SCHEMBL4067757 0.83 CDK4 (0.64) CCND3CDK6CDK9CCNKCCNA2
SCHEMBL4065441 0.83 CDK4 (0.61) CCND3CDK6CDK9CCNKCCNA2
SCHEMBL4066350 0.75 CDK4 (0.56) CCND3CDK6CDK9CCNKCCNA2
SCHEMBL4076077 0.74 SYK (0.61) CCND3CDK6CDK9CCNKCCNA2
SCHEMBL6248675 0.74 GSK3B (0.57) MAPK8MAPK9CHEK1GSK3BJAK3
SCHEMBL4069339 0.74 SYK (0.59) CCND3CDK6CDK9CCNKCCNA2
SCHEMBL4069346 0.74 SYK (0.59) CCND3CDK6CDK9CCNKCCNA2
SCHEMBL30395432 0.74 CCND3 (1.00) CCND3CDK6CDK9CCNKCCNA2

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 10 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
EP-1740184-A1 COMBINATIONS OF SIGNAL TRANSDUCTION INHIBITORS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
EP-1590341-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2005-11-02 EP disclosed
WO-2005094830-A1 COMBINATIONS OF SIGNAL TRANSDUCTION INHIBITORS PFIZER PRODUCTS INC. (US) 2005-10-13 WO 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
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 (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 CCND3 32/4885CDK6 25/4885CDK9 30/4885
US-20050222163-A1 Combinations of signal transduction inhibitors CDK4, CDK3, CDK2 CCND3 103/4885CDK6 7/4885CDK9 11/4885

“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.