SCHEMBL4067322

SCHEMBL4067322

CC(C)Nc1cc(Nc2ccc(N3CCNCC3)cn2)ncn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.51
CCND1 P24385 15/20 0.51
CDK6 Q00534 7/20 0.51
CDK2 P24941 5/20 0.51
CCNA2 P20248 4/20 0.51
CDK1 P06493 3/20 0.51
CCNB1 P14635 3/20 0.51
CCNT1 O60563 2/20 0.51
CCND3 P30281 2/20 0.51
CDK7 P50613 2/20 0.51
CDK9 P50750 2/20 0.51
CCNH P51946 2/20 0.51
CCNA1 P78396 2/20 0.47
PIM1 P11309 1/20 0.45
CCNE1 P24864 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
SCHEMBL4065137 0.81 FLT3 (0.58) CDK4CCND1CDK6CDK2CCNA2
SCHEMBL26550116 0.74 CDK6 (0.46) CDK4CCND1CDK6CDK2CCNA2
SCHEMBL4068781 0.74 CDK6 (0.58) CDK4CCND1CDK6CDK2CCNA2
SCHEMBL25493007 0.74 HRH4 (0.69) CDK7
SCHEMBL20038429 0.73 CHRNB2 (0.58) CDK4CCND1CDK6CDK2CCNA2
Hydrochloric Acid SCHEMBL29020695 0.72 CDK4 (0.52) CDK4CCND1CDK6CDK2CCNA2
SCHEMBL23296202 0.71 CDK4 (0.64) CDK4CCND1CDK6CDK2CCNA2
SCHEMBL18291754 0.71 CDK4 (0.51) CDK4CCND1CDK6CDK2CCNA2
SCHEMBL20238876 0.71 CDK4 (0.51) CDK4CCND1CDK6CDK2CCNA2
SCHEMBL20238873 0.71 CDK4 (0.51) CDK4CCND1CDK6CDK2CCNA2

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 11 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
WO-2009014642-A1 COMBINATION OF A DE NOVO PURINE BIOSYNTHESIS INHIBITOR AND A CYCLIN DEPENDENT KINASE INHIBITOR FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2009-01-29 WO 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 CDK4 1/4885CCND1 11/4885CDK6 25/4885
US-20050222163-A1 Combinations of signal transduction inhibitors CDK4, CDK3, CDK2 CDK4 1/4885CCND1 66/4885CDK6 7/4885

“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.