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Sugi Predict / Compounds / SCHEMBL4473467

SCHEMBL4473467

SCHEMBL4473467

CN(C)c1cccc(CNc2nc(N)c([N+](=O)[O-])c(C[C@H]3CC[C@H](N)CC3)n2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 5/20 0.38
▸ MAPT P10636 4/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ LMNA P02545 6/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ GSK3A P49840 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ DCLK1 O15075 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ MATK P42679 1/20 0.35

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
SCHEMBL4480049 0.92 MAPT (0.41) PRKCQMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL4479124 0.85 PRKCQ (0.50) PRKCQMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL4477250 0.85 PRKCQ (0.48) PRKCQMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL4475836 0.84 PRKCQ (0.40) PRKCQMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL4477805 0.83 PRKCQ (0.49) PRKCQMAPTLMNAALDH1A1TDP1
SCHEMBL4483276 0.83 MAPT (0.39) PRKCQMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL4479917 0.83 PRKCQ (0.39) PRKCQMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL4484863 0.83 PRKCQ (0.47) PRKCQMAPTLMNAALDH1A1TDP1
SCHEMBL4490150 0.82 MAPT (0.42) PRKCQMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL4492865 0.81 PRKCQ (0.40) PRKCQMAPTCYP3A4CYP2C9LMNA

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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 — — US claimed
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 2/4885MAPT 3483/4885CYP3A4 2888/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885MAPT 3483/4885CYP3A4 2888/4885

“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.