SCHEMBL4470008

SCHEMBL4470008

Cc1ccc(Cl)cc1CNc1nc(N)c([N+](=O)[O-])c(C[C@H]2CC[C@H](N)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 4/20 0.42
MAPT P10636 8/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
TDP1 Q9NUW8 4/20 0.40
PKM P14618 1/20 0.39
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 2/20 0.37
XBP1 P17861 1/20 0.36
NPC1 O15118 2/20 0.36
RECQL P46063 3/20 0.36
BLM P54132 3/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL3816425 0.93 PRKCQ (0.49) PRKCQMAPTGSK3AGSK3BTDP1
SCHEMBL4472815 0.93 PRKCQ (0.41) PRKCQMAPTGSK3AGSK3BTDP1
SCHEMBL4479327 0.90 PRKCQ (0.42) PRKCQMAPTGSK3AGSK3BTDP1
SCHEMBL4480659 0.89 CYP1A2 (0.42) PRKCQMAPTGSK3AGSK3BTDP1
SCHEMBL4492049 0.89 PRKCQ (0.40) PRKCQMAPTGSK3AGSK3BTDP1
SCHEMBL4487146 0.88 PRKCQ (0.38) PRKCQMAPTGSK3AGSK3BTDP1
SCHEMBL4483283 0.87 PRKCQ (0.42) PRKCQMAPTGSK3AGSK3BTDP1
SCHEMBL4484863 0.87 PRKCQ (0.47) PRKCQMAPTTDP1KMT2ASMN1; SMN2
SCHEMBL3821204 0.85 PRKCQ (0.49) PRKCQMAPTGSK3AGSK3BTDP1
SCHEMBL4477223 0.85 PRKCQ (0.42) PRKCQMAPTGSK3AGSK3BTDP1

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
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 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 (2 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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885MAPT 3483/4885GSK3A 68/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885MAPT 3483/4885GSK3A 68/4885

“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.