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SCHEMBL4489990

SCHEMBL4489990

Nc1nc(NCc2cccnc2OCC(F)(F)F)nc(C[C@H]2CC[C@H](N3CCC3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.34
▸ LMNA P02545 5/20 0.34
▸ GAA P10253 1/20 0.34
▸ PRKCQ Q04759 3/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ GSK3A P49840 2/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ BLM P54132 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNA1I Q9P0X4 1/20 0.33
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL4486381 0.90 MAPT (0.39) ALDH1A1LMNAGAAPRKCQKMT2A
SCHEMBL4491899 0.89 PRKCQ (0.37) ALDH1A1LMNAPRKCQKMT2AMAPT
SCHEMBL4465037 0.84 PRKCQ (0.48) ALDH1A1LMNAGAAPRKCQKMT2A
SCHEMBL4474922 0.82 PRKCQ (0.37) ALDH1A1LMNAGAAPRKCQKMT2A
SCHEMBL4482903 0.79 PRKCQ (0.44) ALDH1A1LMNAGAAPRKCQKMT2A
SCHEMBL4471361 0.79 MAPT (0.39) ALDH1A1LMNAPRKCQKMT2AMAPT
SCHEMBL13671755 0.79 PRKCQ (0.57) PRKCQGSK3AGSK3BCDK5
SCHEMBL4479794 0.79 PRKCQ (0.44) ALDH1A1LMNAGAAPRKCQKMT2A
SCHEMBL4489104 0.78 MAPT (0.39) ALDH1A1LMNAGAAPRKCQKMT2A
SCHEMBL4486968 0.78 PRKCQ (0.38) ALDH1A1LMNAGAAPRKCQKMT2A

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 7 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 claimed
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
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 ALDH1A1 4365/4885LMNA 2186/4885GAA 1865/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH ALDH1A1 4365/4885LMNA 2186/4885GAA 1865/4885

“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.