SCHEMBL4245296

SCHEMBL4245296

CC(=O)c1cnc(Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)nc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.55
PTPN11 Q06124 1/20 0.53
ALK Q9UM73 7/20 0.48
CCND3 P30281 2/20 0.47
CDK6 Q00534 2/20 0.47
CCNK O75909 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CDK9 P50750 1/20 0.47
WNT3A P56704 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSC P53634 1/20 0.44
CDK4 P11802 3/20 0.44
CCND1 P24385 1/20 0.44
CCND2 P30279 1/20 0.44
GPR119 Q8TDV5 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
SCHEMBL6073819 0.89 SYK (0.62) SYKPTPN11ALKCCND3CDK6
SCHEMBL4063982 0.84 SYK (0.56) SYKALKCCND3CDK6CCNK
SCHEMBL4065441 0.81 CDK4 (0.61) ALKCCND3CDK6CCNKCCNA2
SCHEMBL13812725 0.81 CDK4 (0.47) PTPN11CCND3CDK6CCNKCCNA2
SCHEMBL4064241 0.81 CDK4 (0.56) SYKPTPN11CCND3CDK6CCNK
SCHEMBL27315749 0.81 WNT3A (0.55) SYKALKCCND3CDK6CCNK
SCHEMBL4065950 0.80 SYK (0.53) SYKALKCCND3CDK6CCNK
SCHEMBL4833168 0.79 CDK4 (0.74) CCND3CDK6CCNA2CDK2CDK9
SCHEMBL22414305 0.78 CCND3 (0.60) CCND3CDK6CCNKCCNA2CDK2
SCHEMBL4071155 0.78 SYK (0.53) SYKALKCCND3CDK6CCNK

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 2 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
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 (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 SYK 2974/4885PTPN11 1706/4885ALK 2450/4885

“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.