SCHEMBL16856964

SCHEMBL16856964

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 4/20 0.38
CCNE2 O96020 4/20 0.38
CDK1 P06493 4/20 0.38
CCNB1 P14635 4/20 0.38
CCNE1 P24864 4/20 0.38
CDK2 P24941 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
CSF1R P07333 3/20 0.37
AXL P30530 3/20 0.36
PGK1 P00558 1/20 0.36
KDR P35968 1/20 0.35
KDM5B Q9UGL1 1/20 0.34
LRRK2 Q5S007 1/20 0.34
PIK3CD O00329 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL16856903 0.84 CCNE2 (0.38) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL16857146 0.81 FGFR1 (0.38) AXLKDM5BPIK3CDKDM5APIM1
SCHEMBL16856881 0.75 ALDH1A1 (0.35) LRRK2
SCHEMBL16857127 0.74 FYN (0.35)
SCHEMBL16857054 0.72 FGFR1 (0.36) KDM5BLRRK2
SCHEMBL16857314 0.70 KDM4E (0.35)
SCHEMBL29882342 0.70 AXL (0.47) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL15073979 0.70 AXL (0.47) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL25619536 0.70 CSF1R (0.41) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL16857143 0.69 MAPT (0.33)

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 CCNB2 2937/4885CCNE2 3913/4885CDK1 1775/4885

“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.