SCHEMBL14554136

SCHEMBL14554136

COc1cccn2c(=O)c([N+](=O)[O-])c(CI)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1A P35348 1/20 0.36
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 7/20 0.34
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
NR1I2 O75469 1/20 0.34
AHR P35869 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 3/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL14552834 0.81 MAPT (0.40) ADRA2AADRA2BADRA2CADRA1AALDH1A1
SCHEMBL14552819 0.81 KMT2A (0.39) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL12462265 0.68 MAPT (0.44) ADRA2AADRA2BADRA2CADRA1AALDH1A1
SCHEMBL2149452 0.67 GLA (0.49) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL15767138 0.67 ATP4A (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL2823188 0.66 TDP1 (0.43) ADRA2AADRA2BADRA2CADRA1AALDH1A1
SCHEMBL11010491 0.66 HSD17B10 (0.43) ADRA2AADRA2BADRA2CADRA1AALDH1A1
SCHEMBL12461380 0.65 DPP4 (0.42) ADRA2AADRA2BADRA2CADRA1AALDH1A1
SCHEMBL12462031 0.65 MAPT (0.41) ADRA2AADRA2BADRA2CADRA1AALDH1A1
SCHEMBL875210 0.65 MCHR1 (0.37)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES NO ZAESUNG (KR) 2013-01-10 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-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES TYMS, TYMP, DCTPP1 ADRA2A 2956/4885ADRA2B 2606/4885ADRA2C 3133/4885

“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.