Sugi Predict

Sugi Predict / Compounds / SCHEMBL4479981

SCHEMBL4479981

SCHEMBL4479981

Nc1nc(NCc2cccc(C(F)(F)F)c2F)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 4/20 0.42
▸ MAPT P10636 3/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CD38 P28907 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ P2RX7 Q99572 4/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL3818082 0.93 PRKCQ (0.49) PRKCQMAPTGSK3AGSK3B
SCHEMBL4471148 0.89 PRKCQ (0.49) PRKCQMAPTKMT2ACYP1A2L3MBTL1
SCHEMBL4475836 0.88 PRKCQ (0.40) PRKCQMAPTKMT2ACYP1A2L3MBTL1
SCHEMBL4487315 0.86 ARNT (0.45) PRKCQMAPTKMT2ACYP1A2L3MBTL1
SCHEMBL4475219 0.85 PRKCQ (0.47) PRKCQMAPTKMT2ACYP1A2L3MBTL1
SCHEMBL3814212 0.85 PRKCQ (0.58) PRKCQMAPTLMNAHPGDGSK3A
SCHEMBL4477995 0.84 PRKCQ (0.40) PRKCQMAPTCD38LMNAHPGD
SCHEMBL4486968 0.84 PRKCQ (0.38) PRKCQMAPTKMT2ACD38LMNA
SCHEMBL4477890 0.83 PRKCQ (0.52) PRKCQMAPTKMT2ACYP1A2L3MBTL1
SCHEMBL4490150 0.83 MAPT (0.42) PRKCQMAPTKMT2ACYP1A2L3MBTL1

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 7 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 claimed
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 3483/4885KMT2A 2429/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885MAPT 3483/4885KMT2A 2429/4885

“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.