Sugi Predict

Sugi Predict / Compounds / SCHEMBL4492049

SCHEMBL4492049

SCHEMBL4492049

COc1ccc(Cl)cc1CNc1nc(N)c([N+](=O)[O-])c(C[C@H]2CC[C@H](N)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 3/20 0.40
▸ MAPT P10636 12/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ RAD52 P43351 2/20 0.38
▸ BLM P54132 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ GSK3A P49840 3/20 0.37
▸ GSK3B P49841 3/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ ATM Q13315 2/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL4477223 0.89 PRKCQ (0.42) PRKCQMAPTNPSR1KMT2ABLM
SCHEMBL4470008 0.89 PRKCQ (0.42) PRKCQMAPTKMT2ABLMPKM
SCHEMBL4479327 0.88 PRKCQ (0.42) PRKCQMAPTNPSR1KMT2APOLB
SCHEMBL4475849 0.88 PRKCQ (0.49) PRKCQMAPTNPSR1KMT2APOLB
SCHEMBL4472815 0.87 PRKCQ (0.41) PRKCQMAPTKMT2ABLMPKM
SCHEMBL4490685 0.86 PRKCQ (0.41) PRKCQMAPTNPSR1KMT2APOLB
SCHEMBL4487146 0.85 PRKCQ (0.38) PRKCQMAPTNPSR1KMT2ABLM
SCHEMBL4483283 0.85 PRKCQ (0.42) PRKCQMAPTNPSR1KMT2APOLB
SCHEMBL3818184 0.83 MAPT (0.47) PRKCQMAPTNPSR1KMT2APOLB
SCHEMBL3816425 0.81 PRKCQ (0.49) PRKCQMAPTPKMGSK3AGSK3B

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 4 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
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 3483/4885NPSR1 2860/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885MAPT 3483/4885NPSR1 2860/4885

“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.