Sugi Predict

Sugi Predict / Compounds / SCHEMBL4477593

SCHEMBL4477593

SCHEMBL4477593

CC(C)(C)OC(=O)NC1CCC(CNc2nc(NCC(=O)N3CCCC3)ncc2[N+](=O)[O-])CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 19/20 0.45
▸ MAP4K4 O95819 2/20 0.44
▸ CDK1 P06493 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ PIM1 P11309 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ CSNK1D P48730 2/20 0.44
▸ CLK2 P49760 2/20 0.44
▸ GSK3A P49840 2/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ IRAK1 P51617 2/20 0.44
▸ RPS6KA3 P51812 2/20 0.44
▸ CDK5 Q00535 2/20 0.44
▸ PRKCD Q05655 2/20 0.44
▸ PRKAA1 Q13131 2/20 0.44
▸ STK3 Q13188 2/20 0.44
▸ CAMK2B Q13554 2/20 0.44
▸ CAMK2G Q13555 2/20 0.44

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
SCHEMBL13671972 1.00 PRKCQ (0.45) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL13671969 0.99 PRKCQ (0.44) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL4484939 0.99 PRKCQ (0.44) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL13671974 0.88 PRKCQ (0.51) PRKCQ
SCHEMBL4479025 0.88 PRKCQ (0.51) PRKCQ
SCHEMBL13671975 0.88 PRKCQ (0.50) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL4467808 0.88 PRKCQ (0.50) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL4464167 0.88 PRKCQ (0.49) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL13671886 0.88 PRKCQ (0.49) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL13671734 0.83 PRKCQ (0.53) PRKCQMAP4K4CDK1CYP3A4CYP2D6

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 5 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
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 2/4885MAP4K4 407/4885CDK1 73/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885MAP4K4 407/4885CDK1 73/4885

“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.