SCHEMBL1467508

SCHEMBL1467508

NCCc1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.56
MAPT P10636 3/20 0.56
TAAR1 Q96RJ0 3/20 0.56
KDM4E B2RXH2 2/20 0.56
ADRA2A P08913 2/20 0.56
DRD2 P14416 2/20 0.56
DRD1 P21728 2/20 0.56
DRD4 P21917 2/20 0.56
DRD5 P21918 2/20 0.56
SLC6A2 P23975 2/20 0.56
DRD3 P35462 2/20 0.56
RECQL P46063 2/20 0.56
SLC6A3 Q01959 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
SNCA P37840 2/20 0.56
ALOX15 P16050 2/20 0.56
HSD17B10 Q99714 2/20 0.56
APEX1 P27695 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56

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
SCHEMBL1467557 0.86 MAPK1 (0.61) MAPK1MAPTTAAR1KDM4EADRA2A
SCHEMBL5175273 0.86 GPR35 (0.56) MAPK1MAPTKDM4ERECQLTDP1
Hydrochloric Acid SCHEMBL9302696 0.85 MAPT (0.62) MAPK1MAPTTAAR1KDM4EADRA2A
SCHEMBL5105951 0.84 GPR35 (0.44) MAPK1MAPTTAAR1KDM4EADRA2A
SCHEMBL9198508 0.82 SNCA (0.62) MAPK1MAPTKDM4ERECQLTDP1
SCHEMBL23413210 0.81 TDP1 (0.56) MAPK1MAPTTAAR1KDM4EADRA2A
SCHEMBL30593958 0.81 ALOX15 (0.55) MAPK1MAPTTAAR1KDM4EADRA2A
SCHEMBL29780553 0.81 TDP1 (0.56) MAPK1MAPTTAAR1KDM4EADRA2A
Dopamine SCHEMBL28824444 0.81 KDM4E (0.75) MAPK1MAPTTAAR1KDM4EADRA2A
SCHEMBL30593957 0.81 ALOX15 (0.55) MAPK1MAPTTAAR1KDM4EADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268822-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20110071134-A1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-7732444-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
EP-2123647-A1 2-(amino-substituted)-4-phenyl pyrimidines useful for treating inflammatory diseases Millennium Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
EP-1701944-B1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARM INC (US) 2009-07-29 EP disclosed
EP-1701944-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-09-20 EP disclosed
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-02-23 US disclosed
WO-2005066139-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-21 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 (2 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-20110071134-A1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES PRKCZ, PRKCQ, PRKCE MAPK1 567/4885MAPT 2386/4885TAAR1 2694/4885
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases PRKCZ, PRKCQ, PRKCE MAPK1 567/4885MAPT 2386/4885TAAR1 2694/4885

“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.