Sugi Predict

Sugi Predict / Compounds / SCHEMBL4470147

SCHEMBL4470147

SCHEMBL4470147

Nc1nc(NCc2cccc(OC(F)(F)F)c2)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.45
▸ MAPT P10636 8/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ BLM P54132 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ PRKCQ Q04759 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDM5A P29375 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ KDM5B Q9UGL1 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
SCHEMBL4490167 0.86 KMT2A (0.53) MAPTL3MBTL1MAPK1BLMKMT2A
SCHEMBL4478175 0.84 MAPT (0.51) MAPTL3MBTL1NPSR1MAPK1BLM
SCHEMBL4468391 0.84 MAPT (0.46) MAPTL3MBTL1NPSR1MAPK1BLM
SCHEMBL4490590 0.84 PRKCQ (0.49) CCNT1MAPTL3MBTL1NPSR1MAPK1
SCHEMBL4475566 0.84 MAPT (0.60) MAPTL3MBTL1NPSR1MAPK1BLM
SCHEMBL3815814 0.83 CCNT1 (0.47) CCNT1MAPTL3MBTL1NPSR1MAPK1
SCHEMBL4478004 0.83 PRKCQ (0.51) MAPTPRKCQLMNAHPGDPOLB
SCHEMBL4475838 0.83 PRKCQ (0.51) MAPTPRKCQLMNAHPGDPOLB
SCHEMBL4479578 0.83 PRKCQ (0.51) MAPTPRKCQLMNAHPGDPOLB
SCHEMBL4476078 0.82 LMNA (0.46) MAPTL3MBTL1NPSR1MAPK1BLM

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 CCNT1 575/4885MAPT 3483/4885L3MBTL1 4151/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH CCNT1 575/4885MAPT 3483/4885L3MBTL1 4151/4885

“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.