SCHEMBL4064425

SCHEMBL4064425

CCc1nc(Nc2ccccc2Cl)nc(N)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.44
ATM Q13315 1/20 0.43
TSHR P16473 1/20 0.43
CDK5 Q00535 3/20 0.43
CDK5R1 Q15078 3/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
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 0.42

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) MAPTPOLBRAB9ATDP1MEN1
SCHEMBL4058064 0.86 MAPT (0.47) MAPTPOLBRAB9ATDP1MEN1
SCHEMBL4060122 0.86 MAPT (0.63) MAPTPOLBRAB9ATDP1MEN1
SCHEMBL4055995 0.84 MAPT (0.62) MAPTPOLBRAB9ATDP1KMT2A
SCHEMBL3813778 0.70 MEN1 (0.41) MAPTPOLBRAB9ATDP1MEN1
SCHEMBL4064433 0.69 MAPK1 (0.48) MAPTPOLBRAB9ATDP1MEN1
SCHEMBL28946171 0.69 MAPT (0.42) MAPTRAB9ATDP1KMT2AMAPK1
SCHEMBL4055825 0.68 KMT2A (0.65) MAPTPOLBRAB9ATDP1MEN1
SCHEMBL16174769 0.67 MAPK1 (0.54) MAPTPOLBRAB9AMEN1KMT2A
SCHEMBL3817617 0.67 PRKCQ (0.54) MAPTPOLBRAB9AKMT2ASMN1; SMN2

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 3633/4885POLB 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.