Sugi Predict

Sugi Predict / Compounds / SCHEMBL4481037

SCHEMBL4481037

SCHEMBL4481037

COc1cccnc1CNc1nc(N)c([N+](=O)[O-])c(C[C@H]2CC[C@H](N)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.42
▸ GSK3A P49840 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ AHR P35869 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ BLM P54132 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PRKCQ Q04759 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL4489265 0.88 SMN1; SMN2 (0.40) MAPTGAAPOLBKMT2APRKCQ
SCHEMBL4475849 0.87 PRKCQ (0.49) MAPTGSK3AGSK3BNR1I2AHR
SCHEMBL4489104 0.87 MAPT (0.39) MAPTGSK3AGSK3BNR1I2AHR
SCHEMBL4479923 0.86 MAPT (0.39) MAPTGSK3AGSK3BCDK5GAA
SCHEMBL5165782 0.86 MAPT (0.39) MAPTGSK3AGSK3BCDK5CDK5R1
SCHEMBL4490685 0.84 PRKCQ (0.41) MAPTGSK3AGSK3BNR1I2AHR
SCHEMBL4484345 0.84 SMN1; SMN2 (0.39) MAPTGSK3AGSK3BCDK5GAA
SCHEMBL4483276 0.83 MAPT (0.39) MAPTGSK3AGSK3BCDK5GAA
SCHEMBL4471361 0.82 MAPT (0.39) MAPTGSK3AGSK3BCDK5BLM
SCHEMBL4480565 0.82 MGMT (0.43) MAPTGSK3AGSK3BCDK5CDK5R1

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 MAPT 3483/4885GSK3A 68/4885GSK3B 64/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MAPT 3483/4885GSK3A 68/4885GSK3B 64/4885

“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.