SCHEMBL4080835

SCHEMBL4080835

CC1CN(CC2CCCC2)c2nc(Cl)ncc2N(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.39
PIP4K2B P78356 1/20 0.39
PLK1 P53350 5/20 0.33
PLK2 Q9NYY3 5/20 0.33
STK4 Q13043 3/20 0.33
PLK3 Q9H4B4 3/20 0.32
RPS6KA3 P51812 2/20 0.32
YTHDC1 Q96MU7 1/20 0.32
KAT2B Q92831 1/20 0.31
NPBWR1 P48145 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
TRPC5 Q9UL62 1/20 0.31

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
SCHEMBL4076168 0.82 RPS6KA3 (0.42) PIP4K2APIP4K2BPLK1PLK2STK4
SCHEMBL4089766 0.81 VRK1 (0.39) PIP4K2APIP4K2BSTK4RPS6KA3
SCHEMBL1203549 0.81 PIP4K2A (0.38) PIP4K2APIP4K2BPLK1PLK2PLK3
SCHEMBL4089875 0.81 VRK1 (0.41) PLK1
SCHEMBL3668145 0.80 PIP4K2A (0.38) PIP4K2APIP4K2BPLK1PLK2PLK3
SCHEMBL3547058 0.79 PLK1 (0.35) PIP4K2APIP4K2BPLK1PLK3TRPC5
SCHEMBL4082908 0.79 PIP4K2A (0.36) PIP4K2APIP4K2BPLK1PLK2STK4
SCHEMBL3670197 0.77 PIK3CA (0.35) YTHDC1NPBWR1PIK3CAMTORTRPC5
SCHEMBL3543190 0.76 TRPC5 (0.36) PLK1PLK3TRPC5
SCHEMBL23849175 0.74 PIP4K2A (0.66) PIP4K2APIP4K2BPLK1PLK2PLK3

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-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 US disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 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-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 PIP4K2A 208/4885PIP4K2B 166/4885PLK1 1/4885

“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.