Nitric Acid

Nitric Acid

SCHEMBL6033181

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

nearest known ligand 0.54

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 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.54
ADRA2A P08913 2/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 2/20 0.52
TSHR P16473 1/20 0.51
POLB P06746 1/20 0.47
AOC3 Q16853 2/20 0.47
SLC22A2 O15244 1/20 0.46
TPSAB1 Q15661 3/20 0.45
PRSS1 P07477 2/20 0.45
KLK8 O60259 1/20 0.43
KLK2 P20151 1/20 0.43
KLK4 Q9Y5K2 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43

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
SCHEMBL2492526 0.88 ADRA2A (0.65) PLAUADRA2AADRA2BADRA2CPOLB
Nitric Acid SCHEMBL6034444 0.81 NOS1 (0.49) PLAUAOC3SLC22A2NOS1NOS3
Nitric Acid SCHEMBL6033862 0.77 CA12 (0.72) PLAUADRA2AADRA2BADRA2CPOLB
Nitric Acid SCHEMBL6034669 0.76 FURIN (0.63) PLAUADRA2AADRA2BADRA2CPOLB
Nitric Acid SCHEMBL4613845 0.75 PLAU (0.73) PLAUADRA2AADRA2BADRA2CPOLB
Nitric Acid SCHEMBL3860515 0.75 PLAU (0.92) PLAUADRA2AADRA2BADRA2CTSHR
Nitric Acid SCHEMBL2544085 0.75 PLAU (0.73) PLAUADRA2AADRA2BADRA2CPOLB
Nitric Acid SCHEMBL1833741 0.75 PLAU (0.73) PLAUADRA2AADRA2BADRA2CPOLB
Phenylguanidine SCHEMBL6129042 0.74 PLAU (0.71) PLAUADRA2AADRA2BADRA2CPOLB
Nitric Acid SCHEMBL6033169 0.74 PLAU (0.41) PLAUADRA2AADRA2BADRA2CAOC3

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 10 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
EP-0989985-B1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-11-05 EP 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
US-6133257-A Fused polycyclic 2-aminopyrimidine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2000-10-17 US disclosed
EP-0989985-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-05 EP disclosed
WO-1998058926-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-12-30 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 3039/4885ADRA2A 794/4885ADRA2B 386/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR PLAU 3100/4885ADRA2A 680/4885ADRA2B 337/4885

“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.