SCHEMBL4486381

SCHEMBL4486381

COc1ncccc1CNc1nc(N)c([N+](=O)[O-])c(C[C@H]2CC[C@H](N3CCC3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
BLM P54132 2/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 6/20 0.37
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 2/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRKCQ Q04759 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
PKM P14618 1/20 0.35
POLB P06746 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
SCHEMBL4489990 0.90 ALDH1A1 (0.34) MAPTKMT2AMEN1BLMATM
SCHEMBL4489104 0.88 MAPT (0.39) MAPTNPSR1KMT2ABLMLMNA
SCHEMBL4471361 0.81 MAPT (0.39) MAPTKMT2AMEN1BLMLMNA
SCHEMBL4465037 0.81 PRKCQ (0.48) MAPTKMT2AMEN1BLMATM
SCHEMBL4481714 0.80 JAK3 (0.38) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL4484917 0.80 MAPT (0.38) MAPTNPSR1KMT2AMEN1BLM
SCHEMBL4482903 0.78 PRKCQ (0.44) MAPTNPSR1KMT2AMEN1LMNA
SCHEMBL4491899 0.78 PRKCQ (0.37) MAPTKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL4474922 0.78 PRKCQ (0.37) MAPTKMT2AMEN1BLMATM
SCHEMBL4484345 0.77 SMN1; SMN2 (0.39) MAPTKMT2AMEN1LMNAALDH1A1

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 3 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
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 3483/4885NPSR1 2860/4885KMT2A 2429/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MAPT 3483/4885NPSR1 2860/4885KMT2A 2429/4885

“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.