Sugi Predict

Sugi Predict / Compounds / SCHEMBL4479093

SCHEMBL4479093

SCHEMBL4479093

Nc1nc(NCc2cc(Cl)cc(Cl)c2)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 4/20 0.46
▸ PKM P14618 1/20 0.43
▸ MAPT P10636 6/20 0.42
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL3813442 0.92 PRKCQ (0.55) PRKCQPKMMAPTPOLBSMN1; SMN2
SCHEMBL4490590 0.90 PRKCQ (0.49) PRKCQPKMMAPTPOLBSMN1; SMN2
SCHEMBL4491551 0.88 CYP1A2 (0.43) PRKCQPKMMAPTPOLBSMN1; SMN2
SCHEMBL4479865 0.87 PKM (0.43) PRKCQPKMMAPTPOLBSMN1; SMN2
SCHEMBL4475566 0.85 MAPT (0.60) PRKCQMAPTPOLBSMN1; SMN2TDP1
SCHEMBL4479339 0.85 MAPT (0.42) PRKCQPKMMAPTPOLBSMN1; SMN2
SCHEMBL4473465 0.84 MAPT (0.47) PKMMAPTPOLBSMN1; SMN2TDP1
SCHEMBL4468391 0.84 MAPT (0.46) PRKCQPKMMAPTPOLBSMN1; SMN2
SCHEMBL4477953 0.84 MAPT (0.39) PRKCQPKMMAPTPOLBSMN1; SMN2
SCHEMBL4482286 0.84 KMT2A (0.45) PRKCQPKMMAPTPOLBGSK3A

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 2/4885PKM 124/4885MAPT 3483/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885PKM 124/4885MAPT 3483/4885

“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.