SCHEMBL4479124

SCHEMBL4479124

Cc1c(Cl)cccc1CNc1nc(N)c([N+](=O)[O-])c(C[C@H]2CC[C@H](N)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 8/20 0.50
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2D6 P10635 2/20 0.40
DCLK1 O15075 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK1 P06493 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
CDK2 P24941 1/20 0.40
MATK P42679 1/20 0.40
FRK P42685 1/20 0.40
CSNK1D P48730 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
IRAK1 P51617 1/20 0.40
RPS6KA3 P51812 1/20 0.40
CDK5 Q00535 1/20 0.40
PRKCD Q05655 1/20 0.40

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
SCHEMBL3817165 0.93 PRKCQ (0.59) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL4477805 0.91 PRKCQ (0.49) PRKCQSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL4477250 0.91 PRKCQ (0.48) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL4475836 0.90 PRKCQ (0.40) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL4492865 0.89 PRKCQ (0.40) PRKCQCYP3A4CYP2C9CDK5SMN1; SMN2
SCHEMBL4484863 0.87 PRKCQ (0.47) PRKCQSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL4483276 0.85 MAPT (0.39) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL4473467 0.85 PRKCQ (0.38) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL4484345 0.84 SMN1; SMN2 (0.39) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL4490150 0.84 MAPT (0.42) PRKCQCYP3A4CYP2C9CYP2D6DCLK1

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 2/4885CYP3A4 2888/4885CYP2C9 2276/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885CYP3A4 2888/4885CYP2C9 2276/4885

“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.