Sugi Predict

Sugi Predict / Compounds / SCHEMBL4480659

SCHEMBL4480659

SCHEMBL4480659

Cc1ccc(F)cc1CNc1nc(N)c([N+](=O)[O-])c(C[C@H]2CC[C@H](N)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPT P10636 6/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ GSK3A P49840 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ PRKCQ Q04759 4/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PKM P14618 1/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ XBP1 P17861 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ BLM P54132 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPC1 O15118 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
SCHEMBL3815460 0.93 PRKCQ (0.47) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL4470008 0.89 PRKCQ (0.42) MAPTKMT2AMEN1GSK3AGSK3B
SCHEMBL4479505 0.87 ARNT (0.44) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL4484863 0.87 PRKCQ (0.47) MAPTKMT2APRKCQL3MBTL1TDP1
SCHEMBL4487315 0.86 ARNT (0.45) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL4472815 0.84 PRKCQ (0.41) MAPTKMT2AMEN1GSK3AGSK3B
SCHEMBL3819159 0.83 PRKCQ (0.57) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL4490167 0.83 KMT2A (0.53) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL3818311 0.83 PRKCQ (0.57) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL4477805 0.83 PRKCQ (0.49) MAPTKMT2AMEN1PRKCQL3MBTL1

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 CYP1A2 2028/4885CYP3A4 2888/4885CYP2C9 2276/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH CYP1A2 2028/4885CYP3A4 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.