Sugi Predict

Sugi Predict / Compounds / SCHEMBL4472436

SCHEMBL4472436

SCHEMBL4472436

Nc1nc(NCc2ccccc2OC(F)(F)F)nc(C[C@H]2CC[C@H](NCc3ccc(F)cc3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 4/20 0.46
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MAPT P10636 4/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34

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
SCHEMBL4479734 0.95 PRKCQ (0.48) PRKCQCYP1A2MAPTKMT2AL3MBTL1
SCHEMBL4475471 0.93 PRKCQ (0.44) PRKCQCYP1A2MAPTKMT2AL3MBTL1
SCHEMBL4472728 0.92 PRKCQ (0.47) PRKCQCYP1A2MAPTKMT2AL3MBTL1
SCHEMBL4477310 0.90 PRKCQ (0.48) PRKCQMAPTSMN1; SMN2LMNAHPGD
SCHEMBL4480711 0.89 PRKCQ (0.49) PRKCQMAPTKMT2ALMNAHPGD
SCHEMBL4475018 0.88 PRKCQ (0.47) PRKCQCYP2C9MAPTLMNAHPGD
SCHEMBL4471874 0.88 PRKCQ (0.45) PRKCQMAPTSMN1; SMN2LMNAHPGD
SCHEMBL4477462 0.88 PRKCQ (0.48) PRKCQMAPTKMT2AMEN1GSK3A
SCHEMBL4484412 0.87 PRKCQ (0.47) PRKCQCYP3A4CYP2C9MAPTGSK3A
SCHEMBL3813270 0.87 PRKCQ (0.60) PRKCQCYP3A4CYP2C9MAPTGSK3A

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 2/4885CYP1A2 2028/4885CYP3A4 2888/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885CYP1A2 2028/4885CYP3A4 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.