Sugi Predict

Sugi Predict / Compounds / SCHEMBL4479892

SCHEMBL4479892

SCHEMBL4479892

Nc1nc(NCc2csc3ccc(Cl)cc23)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.40
▸ PKM P14618 2/20 0.37
▸ PRKCQ Q04759 2/20 0.37
▸ MAPT P10636 7/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ EPHX1 P07099 1/20 0.34
▸ RECQL P46063 3/20 0.34
▸ BLM P54132 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ GAB1 Q13480 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ MAPK1 P28482 2/20 0.33

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
SCHEMBL4468436 0.88 MAPT (0.39) CA2MAPTGSK3AGSK3BKMT2A
SCHEMBL4479327 0.84 PRKCQ (0.42) PKMPRKCQMAPTGSK3AGSK3B
SCHEMBL4470008 0.84 PRKCQ (0.42) PKMPRKCQMAPTGSK3AGSK3B
SCHEMBL4472815 0.84 PRKCQ (0.41) PKMPRKCQMAPTGSK3AGSK3B
SCHEMBL4483283 0.84 PRKCQ (0.42) PKMPRKCQMAPTGSK3AGSK3B
SCHEMBL4492049 0.81 PRKCQ (0.40) PKMPRKCQMAPTGSK3AGSK3B
SCHEMBL4487146 0.81 PRKCQ (0.38) PKMPRKCQMAPTGSK3AGSK3B
SCHEMBL4490590 0.80 PRKCQ (0.49) PKMPRKCQMAPTGSK3AGSK3B
SCHEMBL4477250 0.80 PRKCQ (0.48) PRKCQMAPTGSK3AGSK3BCDK5
SCHEMBL4477223 0.79 PRKCQ (0.42) PKMPRKCQMAPTGSK3AGSK3B

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 CA2 1921/4885PKM 124/4885PRKCQ 2/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH CA2 1921/4885PKM 124/4885PRKCQ 2/4885

“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.