SCHEMBL4477323

SCHEMBL4477323

COc1ncc(F)cc1CNc1nc(N)c([N+](=O)[O-])c(C[C@H]2CC[C@H](N)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PRKCQ Q04759 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 9/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
LMNA P02545 1/20 0.35
GSK3A P49840 3/20 0.35
GSK3B P49841 3/20 0.35
NR1I2 O75469 1/20 0.35
AHR P35869 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 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
SCHEMBL4489104 0.84 MAPT (0.39) KMT2AL3MBTL1PRKCQMAPTNPSR1
SCHEMBL4490685 0.83 PRKCQ (0.41) KMT2APRKCQMAPTNPSR1MEN1
SCHEMBL4480659 0.82 CYP1A2 (0.42) CYP1A2KMT2AL3MBTL1PRKCQCYP3A4
SCHEMBL4475849 0.81 PRKCQ (0.49) KMT2AL3MBTL1PRKCQMAPTNPSR1
SCHEMBL4492049 0.80 PRKCQ (0.40) KMT2APRKCQMAPTNPSR1MAPK1
SCHEMBL4491551 0.80 CYP1A2 (0.43) CYP1A2KMT2AL3MBTL1PRKCQCYP3A4
SCHEMBL4479505 0.79 ARNT (0.44) CYP1A2KMT2AL3MBTL1PRKCQCYP3A4
SCHEMBL4490167 0.79 KMT2A (0.53) CYP1A2KMT2AL3MBTL1PRKCQCYP3A4
SCHEMBL4475219 0.78 PRKCQ (0.47) CYP1A2KMT2AL3MBTL1PRKCQMAPT
SCHEMBL4481037 0.78 MAPT (0.42) KMT2AL3MBTL1PRKCQMAPTNPSR1

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 7 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 claimed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US claimed
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
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 WO 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 CYP1A2 2028/4885KMT2A 2429/4885L3MBTL1 4151/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH CYP1A2 2028/4885KMT2A 2429/4885L3MBTL1 4151/4885

“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.