SCHEMBL4064433

SCHEMBL4064433

CCc1nc(N(Cl)c2ccccc2)nc(N)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
KMT2A Q03164 5/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 4/20 0.43
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4055825 0.86 KMT2A (0.65) MAPK1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4060127 0.85 MAPK1 (0.48) MAPK1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4058073 0.85 MAPK1 (0.48) MAPK1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4056002 0.84 MAPK1 (0.47) MAPK1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4064425 0.69 MAPT (0.47) MAPK1KMT2ARAB9AALDH1A1LMNA
SCHEMBL28321846 0.69 SMN1; SMN2 (0.45) MAPK1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4055815 0.68 RAB9A (0.48) MAPK1KMT2ANPC1RAB9ALMNA
SCHEMBL4058064 0.67 MAPT (0.47) MAPK1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4060122 0.67 MAPT (0.63) MAPK1KMT2ARAB9APOLBMAPT
SCHEMBL7043415 0.65 MAPK1 (0.44) MAPK1KMT2ANPC1RAB9AALDH1A1

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 MAPK1 720/4885KMT2A 2345/4885NPC1 3914/4885

“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.