Sugi Predict

Sugi Predict / Compounds / SCHEMBL4491193

SCHEMBL4491193

SCHEMBL4491193

Nc1nc(NCCc2ccc(F)cc2)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 4/20 0.48
▸ KMT2A Q03164 3/20 0.46
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GSK3A P49840 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ HTT P42858 2/20 0.41
▸ CNR2 P34972 1/20 0.39
▸ MGMT P16455 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ HTR6 P50406 1/20 0.37

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
SCHEMBL3816247 0.92 PRKCQ (0.57) PRKCQKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL4479341 0.90 KMT2A (0.57) PRKCQKMT2ACYP1A2HTTMAPT
SCHEMBL4469214 0.89 KMT2A (0.46) PRKCQKMT2AMGMTMAPTALDH1A1
SCHEMBL5998038 0.89 PRKCQ (0.51) PRKCQKMT2ACYP1A2GSK3AGSK3B
SCHEMBL4479907 0.86 PRKCQ (0.50) PRKCQKMT2AGSK3AGSK3BMGMT
SCHEMBL4467715 0.84 KMT2A (0.48) PRKCQKMT2ACYP1A2MGMTMAPT
SCHEMBL4482286 0.83 KMT2A (0.45) PRKCQKMT2ACYP1A2GSK3AGSK3B
SCHEMBL4491551 0.83 CYP1A2 (0.43) PRKCQKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3812850 0.83 PRKCQ (0.55) PRKCQKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL4479339 0.83 MAPT (0.42) PRKCQKMT2ACYP1A2CYP3A4CYP2C9

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 2/4885KMT2A 2429/4885CYP1A2 2028/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885KMT2A 2429/4885CYP1A2 2028/4885

“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.