Nitric Acid

Nitric Acid

SCHEMBL6033909

NC(N)=Nc1ccc(-n2ccnn2)cc1.O=[N+]([O-])O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Nitric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.46
NOTUM Q6P988 6/20 0.44
ADRA2A P08913 3/20 0.41
ADRA2B P18089 3/20 0.41
ADRA2C P18825 3/20 0.41
POLB P06746 1/20 0.39
PLG P00747 1/20 0.38
CYP19A1 P11511 1/20 0.37
HGFAC Q04756 1/20 0.36
NOS1 P29475 2/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
SLC22A3 O75751 1/20 0.34

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
Nitric Acid SCHEMBL6033904 0.78 NOTUM (0.44) NOTUMCYP19A1MAPK9MAPK10
Nitric Acid SCHEMBL6033802 0.75 FBP1 (0.50) PLAUADRA2AADRA2BADRA2CPOLB
Nitric Acid SCHEMBL6033195 0.75 CYP51A1 (0.48) PLAUNOTUMADRA2AADRA2BADRA2C
Nitric Acid SCHEMBL6033962 0.73 FURIN (0.48) PLAUADRA2AADRA2BADRA2CCYP19A1
SCHEMBL10447781 0.71 NOTUM (0.78) NOTUMCYP19A1
Nitric Acid SCHEMBL6033862 0.70 CA12 (0.72) PLAUADRA2AADRA2BADRA2CPOLB
SCHEMBL6827358 0.69 NOTUM (0.55) NOTUMCYP19A1MAPK9MAPK10
Nitric Acid SCHEMBL4613845 0.69 PLAU (0.73) PLAUADRA2AADRA2BADRA2CPOLB
Nitric Acid SCHEMBL3860515 0.69 PLAU (0.92) PLAUADRA2AADRA2BADRA2CPOLB
Nitric Acid SCHEMBL1833741 0.69 PLAU (0.73) PLAUADRA2AADRA2BADRA2CPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187816-B1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LTD (GB) 2006-12-20 EP disclosed
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMTIED 2004-09-16 US disclosed
US-6579983-B1 Potent and selective inhibitors of receptor tyrosine kinases involved in angiogenesis, especially KDR kinase and/or FGFr kinase CELLTECH R&D LIMITED (GB) 2003-06-17 US disclosed
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2002-10-10 US disclosed
EP-1187816-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES Celltech R&D Limited (GB) 2002-03-20 EP disclosed
WO-2000078731-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LIMITED (GB) 2000-12-28 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-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR PLAU 3039/4885NOTUM 4600/4885ADRA2A 794/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR PLAU 3100/4885NOTUM 4625/4885ADRA2A 680/4885

“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.