Sugi Predict

Sugi Predict / Compounds / SCHEMBL4479505

SCHEMBL4479505

SCHEMBL4479505

Nc1nc(NCc2ccc(F)cc2Cl)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ARNT P27540 1/20 0.44
▸ EPAS1 Q99814 1/20 0.44
▸ PRKCQ Q04759 5/20 0.42
▸ CYP1A2 P05177 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GSK3A P49840 4/20 0.39
▸ GSK3B P49841 4/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 6/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ PKM P14618 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ DCLK1 O15075 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL3814282 0.94 PRKCQ (0.48) ARNTEPAS1PRKCQCYP1A2KMT2A
SCHEMBL4487315 0.88 ARNT (0.45) ARNTEPAS1PRKCQCYP1A2KMT2A
SCHEMBL4483283 0.87 PRKCQ (0.42) PRKCQCYP1A2KMT2AL3MBTL1GSK3A
SCHEMBL4480659 0.87 CYP1A2 (0.42) PRKCQCYP1A2KMT2AL3MBTL1LMNA
SCHEMBL4477250 0.87 PRKCQ (0.48) PRKCQL3MBTL1LMNAGSK3AGSK3B
SCHEMBL4479327 0.86 PRKCQ (0.42) PRKCQCYP1A2KMT2AL3MBTL1GSK3A
SCHEMBL4475836 0.86 PRKCQ (0.40) PRKCQCYP1A2KMT2AL3MBTL1LMNA
SCHEMBL3812423 0.85 PRKCQ (0.57) PRKCQCYP1A2KMT2AL3MBTL1GSK3A
SCHEMBL4478939 0.84 MAPT (0.39) PRKCQCYP1A2KMT2AGSK3AGSK3B
SCHEMBL3820581 0.84 PRKCQ (0.58) PRKCQKMT2AGSK3AGSK3BCYP3A4

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 ARNT 4768/4885EPAS1 1749/4885PRKCQ 2/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH ARNT 4768/4885EPAS1 1749/4885PRKCQ 2/4885

“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.