SCHEMBL4055995

SCHEMBL4055995

CCc1nc(Nc2ccccc2OC)nc(N)c1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.62
TDP1 Q9NUW8 2/20 0.62
GSK3A P49840 2/20 0.60
GSK3B P49841 2/20 0.60
NR1I2 O75469 1/20 0.60
AHR P35869 1/20 0.60
CDK5 Q00535 1/20 0.60
CDK5R1 Q15078 1/20 0.60
BLM P54132 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 2/20 0.56
RAD52 P43351 1/20 0.56
ATM Q13315 1/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.47
RECQL P46063 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47

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
SCHEMBL4055815 0.85 RAB9A (0.48) MAPTTDP1GSK3AGSK3BNR1I2
SCHEMBL4064425 0.84 MAPT (0.47) MAPTTDP1GSK3AGSK3BNR1I2
SCHEMBL4060122 0.84 MAPT (0.63) MAPTTDP1GSK3AGSK3BNR1I2
SCHEMBL4058064 0.84 MAPT (0.47) MAPTTDP1GSK3AGSK3BNR1I2
SCHEMBL11813903 0.71 MAPT (0.83) MAPTKMT2APOLBGAAL3MBTL1
SCHEMBL11702796 0.70 MAPT (0.57) MAPTKMT2APOLBGAAL3MBTL1
SCHEMBL4056002 0.69 MAPK1 (0.47) MAPTTDP1KMT2APOLBGAA
SCHEMBL20149731 0.69 NPC1 (0.73) MAPTTDP1BLMKMT2APOLB
SCHEMBL28220480 0.69 MAPT (0.71) MAPTKMT2AL3MBTL1RECQLRAB9A
SCHEMBL11699122 0.68 GBA1 (0.52) MAPTKMT2AL3MBTL1NPC1RAB9A

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-7550473-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
EP-1590334-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-11-02 EP disclosed
US-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-09 US disclosed
WO-2004067516-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-08-12 WO 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 (1 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-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCQ, PRKCZ, PRKCH MAPT 3633/4885TDP1 171/4885GSK3A 92/4885

“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.