SCHEMBL4492815

SCHEMBL4492815

CN1CCN([C@H]2CC[C@H](Cc3nc(NCc4ccccc4OC(F)(F)F)nc(N)c3[N+](=O)[O-])CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.46
MAPT P10636 5/20 0.39
GPR55 Q9Y2T6 1/20 0.39
EPHX2 P34913 3/20 0.37
DCPS Q96C86 1/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2J2 P51589 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
FLT4 P35916 1/20 0.34
PTK2 Q05397 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL5999683 1.00 PRKCQ (0.46) PRKCQMAPTGPR55EPHX2DCPS
SCHEMBL4482903 0.97 PRKCQ (0.44) PRKCQMAPTGPR55EPHX2DCPS
SCHEMBL4465037 0.93 PRKCQ (0.48) PRKCQMAPTEPHX2DCPSLMNA
SCHEMBL4481034 0.92 PRKCQ (0.44) PRKCQEPHX2DCPSLMNAALDH1A1
SCHEMBL4479060 0.92 PRKCQ (0.45) PRKCQMAPTEPHX2DCPSLMNA
SCHEMBL4478816 0.91 PRKCQ (0.44) PRKCQMAPTEPHX2DCPSLMNA
SCHEMBL4476930 0.91 PRKCQ (0.46) PRKCQMAPTEPHX2DCPSLMNA
SCHEMBL4482708 0.89 PRKCQ (0.46) PRKCQMAPTEPHX2DCPSLMNA
SCHEMBL4479611 0.89 SLC6A4 (0.43) PRKCQEPHX2DCPSCYP2C9CYP2J2
SCHEMBL4485509 0.89 PRKCQ (0.47) PRKCQMAPTEPHX2DCPSLMNA

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 3483/4885GPR55 1452/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885MAPT 3483/4885GPR55 1452/4885

“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.