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SCHEMBL4477353

SCHEMBL4477353

Cc1nn(C)cc1CN[C@H]1CC[C@H](Cc2nc(NCc3ccccc3OC(F)(F)F)nc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 5/20 0.44
▸ EPHX2 P34913 2/20 0.35
▸ DCPS Q96C86 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MCHR1 Q99705 2/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ GSK3A P49840 2/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32

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
SCHEMBL4476723 0.90 PRKCQ (0.44) PRKCQEPHX2DCPSLMNAALDH1A1
SCHEMBL4471874 0.88 PRKCQ (0.45) PRKCQEPHX2DCPSSMN1; SMN2LMNA
SCHEMBL4472726 0.88 PRKCQ (0.44) PRKCQEPHX2DCPSSMN1; SMN2MCHR1
SCHEMBL4472728 0.87 PRKCQ (0.47) PRKCQEPHX2DCPSMCHR1ADRA2A
SCHEMBL4489771 0.87 PRKCQ (0.42) PRKCQEPHX2DCPSSMN1; SMN2MCHR1
SCHEMBL4477310 0.87 PRKCQ (0.48) PRKCQEPHX2DCPSSMN1; SMN2LMNA
SCHEMBL4479734 0.86 PRKCQ (0.48) PRKCQEPHX2SMN1; SMN2LMNAHPGD
SCHEMBL4472436 0.85 PRKCQ (0.46) PRKCQEPHX2SMN1; SMN2LMNAHPGD
SCHEMBL4478845 0.85 PRKCQ (0.43) PRKCQEPHX2DCPSSMN1; SMN2LMNA
SCHEMBL4480711 0.85 PRKCQ (0.49) PRKCQEPHX2DCPSLMNAHPGD

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 5 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
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 PRKCQ 2/4885EPHX2 861/4885DCPS 587/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885EPHX2 861/4885DCPS 587/4885

“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.