SCHEMBL4492865

SCHEMBL4492865

Cc1c(Br)cccc1CNc1nc(N)c([N+](=O)[O-])c(CC2CCC(N)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 6/20 0.38
LMNA P02545 6/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 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
Trifluoroacetic Acid SCHEMBL4486993 0.93 SMN1; SMN2 (0.36) PRKCQSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL4477805 0.91 PRKCQ (0.49) PRKCQSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL4479124 0.89 PRKCQ (0.50) PRKCQSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL4484863 0.87 PRKCQ (0.47) PRKCQSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL4484345 0.84 SMN1; SMN2 (0.39) PRKCQSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL4490150 0.84 MAPT (0.42) PRKCQSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL4480049 0.83 MAPT (0.41) PRKCQSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL4471148 0.83 PRKCQ (0.49) PRKCQMAPTLMNAALDH1A1KMT2A
SCHEMBL3814661 0.83 PRKCQ (0.57) PRKCQSMN1; SMN2MAPTCYP3A4CYP2C9
SCHEMBL3812415 0.83 PRKCQ (0.56) PRKCQMAPTCYP3A4CYP2C9CDK5

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 6 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-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 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 (3 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 2/4885SMN1; SMN2 3820/4885MAPT 3483/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885SMN1; SMN2 3820/4885MAPT 3483/4885
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta PRKCQ, PRKCZ, PRKAR2B PRKCQ 1/4885SMN1; SMN2 3851/4885MAPT 3366/4885

“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.