Sugi Predict

Sugi Predict / Compounds / SCHEMBL4491899

SCHEMBL4491899

SCHEMBL4491899

Nc1nc(NCc2cccnc2OCC(F)(F)F)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 8/20 0.37
▸ MAPT P10636 1/20 0.35
▸ LMNA P02545 3/20 0.33
▸ CACNA1G O43497 3/20 0.33
▸ CACNA1H O95180 3/20 0.33
▸ CACNA1I Q9P0X4 3/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MGMT P16455 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL4471361 0.90 MAPT (0.39) PRKCQMAPTLMNAHPGDALDH1A1
SCHEMBL4489990 0.89 ALDH1A1 (0.34) PRKCQMAPTLMNACACNA1GCACNA1H
SCHEMBL4489104 0.89 MAPT (0.39) PRKCQMAPTLMNAHPGDALDH1A1
SCHEMBL4486968 0.89 PRKCQ (0.38) PRKCQMAPTLMNAHPGDALDH1A1
SCHEMBL4481714 0.87 JAK3 (0.38) PRKCQMAPTLMNAHPGDALDH1A1
SCHEMBL4483276 0.85 MAPT (0.39) PRKCQMAPTLMNAHPGDALDH1A1
SCHEMBL4484345 0.84 SMN1; SMN2 (0.39) PRKCQMAPTLMNAHPGDALDH1A1
SCHEMBL4482733 0.83 MAPT (0.37) PRKCQMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL4479578 0.82 PRKCQ (0.51) PRKCQMAPTLMNAHPGDSMN1; SMN2
SCHEMBL4478004 0.82 PRKCQ (0.51) PRKCQMAPTLMNAHPGDSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3483/4885LMNA 2186/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885MAPT 3483/4885LMNA 2186/4885

“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.