SCHEMBL4242965

SCHEMBL4242965

CSc1ncc2c(n1)N(C1CCCC1)C(=O)N(Cc1ccccc1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.43
ENPP2 Q13822 2/20 0.40
FGFR4 P22455 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FKBP1A P62942 2/20 0.37
SLC6A2 P23975 1/20 0.36
CACNA2D1 P54289 1/20 0.36
MARK3 P27448 2/20 0.35
ATM Q13315 1/20 0.34
MARK4 Q96L34 1/20 0.34

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
SCHEMBL27998170 0.83 EGFR (0.47) EGFRMAPTTHRB
SCHEMBL4248642 0.83 EGFR (0.42) EGFRENPP2PDE4APDE4BPDE4C
SCHEMBL27265278 0.83 FGFR4 (0.53) FGFR4MAPTKDM4ETHRBHPGD
SCHEMBL27998173 0.81 EGFR (0.41) EGFRFGFR4FKBP1ASLC6A2CACNA2D1
SCHEMBL30883472 0.79 FGFR4 (0.45) EGFRFGFR4MAPTMEN1KMT2A
SCHEMBL27225133 0.79 FGFR4 (0.45) EGFRFGFR4MAPTMEN1KMT2A
SCHEMBL22185032 0.78 FGFR4 (0.43) EGFRFGFR4MAPTMEN1KMT2A
SCHEMBL22165181 0.74 CCNT1 (0.37) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL30400602 0.74 CCNT1 (0.37) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL22165040 0.74 MEN1 (0.41) PDE4APDE4BPDE4CPDE4DMAPT

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 3 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-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 EGFR 1046/4885ENPP2 1793/4885FGFR4 706/4885

“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.