SCHEMBL4479707

SCHEMBL4479707

Cc1c(CN[C@H]2CC[C@H](Cc3nc(NCc4cnccc4C(F)(F)F)nc(N)c3[N+](=O)[O-])CC2)cnn1C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 14/20 0.35
PRKCD Q05655 13/20 0.34
CD38 P28907 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL5999051 1.00 PRKCQ (0.35) PRKCQPRKCDCD38SMN1; SMN2CYP1A2
SCHEMBL5002028 0.90 PRKCQ (0.38) PRKCQPRKCDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL4472726 0.84 PRKCQ (0.44) PRKCQSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL4477995 0.83 PRKCQ (0.40) PRKCQPRKCDCD38SMN1; SMN2LMNA
SCHEMBL4474922 0.81 PRKCQ (0.37) PRKCQPRKCDSMN1; SMN2LMNAALDH1A1
SCHEMBL5177096 0.79 PRKCQ (0.58) PRKCQPRKCDCYP3A4CYP2C9
SCHEMBL5002034 0.78
SCHEMBL3814212 0.74 PRKCQ (0.58) PRKCQPRKCDCYP3A4CYP2C9LMNA
SCHEMBL4471874 0.72 PRKCQ (0.45) PRKCQSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL4490685 0.71 PRKCQ (0.41) PRKCQSMN1; SMN2LMNAALDH1A1

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 2 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-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 (1 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-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885PRKCD 9/4885CD38 607/4885

“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.