SCHEMBL4058064

SCHEMBL4058064

CCc1nc(Nc2ccccc2Br)nc(N)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
NR1I2 O75469 1/20 0.42
AHR P35869 1/20 0.42
HPGD P15428 1/20 0.41
GPR55 Q9Y2T6 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
SCHEMBL4055815 0.87 RAB9A (0.48) MAPTPOLBRAB9ALMNANPC1
SCHEMBL4064425 0.86 MAPT (0.47) MAPTPOLBRAB9ALMNAMAPK1
SCHEMBL4060122 0.86 MAPT (0.63) MAPTPOLBRAB9AMAPK1TDP1
SCHEMBL4055995 0.84 MAPT (0.62) MAPTPOLBRAB9ANPC1MAPK1
SCHEMBL4058073 0.69 MAPK1 (0.48) MAPTPOLBRAB9ALMNANPC1
SCHEMBL3821604 0.68 MEN1 (0.45) MAPTPOLBRAB9ALMNANPC1
SCHEMBL4055825 0.68 KMT2A (0.65) MAPTPOLBRAB9ALMNANPC1
SCHEMBL3815740 0.67 MAPT (0.45) MAPTPOLBRAB9ALMNANPC1
SCHEMBL4064433 0.67 MAPK1 (0.48) MAPTPOLBRAB9ALMNANPC1
SCHEMBL4060127 0.67 MAPK1 (0.48) MAPTPOLBRAB9ALMNANPC1

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 2 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
US-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-09 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 (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 3633/4885POLB 181/4885RAB9A 1799/4885

“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.