SCHEMBL16856903

SCHEMBL16856903

COC(OC)c1c(F)cnc(-c2cnn(C)c2)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 5/20 0.38
CCNE1 P24864 5/20 0.38
CDK2 P24941 5/20 0.38
CCNB2 O95067 4/20 0.38
CDK1 P06493 4/20 0.38
CCNB1 P14635 4/20 0.38
CDK5 Q00535 4/20 0.38
CDK5R1 Q15078 4/20 0.38
CCNB3 Q8WWL7 4/20 0.38
CCNT1 O60563 3/20 0.38
CDK9 P50750 3/20 0.38
MET P08581 2/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
MAP4K1 Q92918 2/20 0.35
AXL P30530 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
KDM5B Q9UGL1 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
SCHEMBL16856964 0.84 CCNB2 (0.38) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL16857146 0.81 FGFR1 (0.38) AXLPIK3CDPIK3CAPIK3CGKDM5B
SCHEMBL16856867 0.71 ALK (0.32) ALOX5APFEN1
SCHEMBL16856990 0.69 ALOX5AP (0.31) ALOX5APFEN1
SCHEMBL24921582 0.68 PIM1 (0.46) CDK2METMAP4K1PIM1FGFR1
SCHEMBL16320610 0.68 CDK2 (0.47) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL31276405 0.67 AXL (0.43) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL16407111 0.66 AXL (0.48) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL30519211 0.66 AXL (0.48) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL16320667 0.65 CCNE2 (0.50) CCNE2CCNE1CDK2CCNB2CDK1

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
US-20150299188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-22 US disclosed
EP-2889291-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-07-01 EP 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-20150299188-A1 HETEROCYCLIC COMPOUND PTGIS, LIPG, FEN1 CCNE2 3913/4885CCNE1 3521/4885CDK2 1949/4885

“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.