Nitric Acid

Nitric Acid

SCHEMBL6033802

NC(N)=Nc1ccc(-n2cncn2)cc1.O=[N+]([O-])O

nearest known ligand 0.50

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
FBP1 P09467 1/20 0.50
PLAU P00749 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
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
SMYD3 Q9H7B4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HGFAC Q04756 1/20 0.36
NOS1 P29475 1/20 0.36

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 SCHEMBL6033797 0.77 FBP1 (0.49) FBP1SMN1; SMN2KDM4EALDH1A1POLB
Nitric Acid SCHEMBL6033169 0.76 PLAU (0.41) PLAUSMN1; SMN2ALDH1A1ADRA2AADRA2B
Nitric Acid SCHEMBL6033195 0.75 CYP51A1 (0.48) PLAUADRA2AADRA2BADRA2CPLG
Nitric Acid SCHEMBL6033909 0.75 PLAU (0.46) PLAUADRA2AADRA2BADRA2CPOLB
SCHEMBL6034692 0.72 FBP1 (0.60) FBP1SMN1; SMN2KDM4EALDH1A1POLB
Nitric Acid SCHEMBL6033862 0.70 CA12 (0.72) PLAUADRA2AADRA2BADRA2CPOLB
SCHEMBL2905639 0.69 SMN1; SMN2 (0.56) FBP1SMN1; SMN2KDM4EALDH1A1SMYD3
Nitric Acid SCHEMBL4613845 0.69 PLAU (0.73) PLAUADRA2AADRA2BADRA2CPOLB
Nitric Acid SCHEMBL2544085 0.69 PLAU (0.73) 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 FBP1 782/4885PLAU 3039/4885SMN1; SMN2 3158/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR FBP1 876/4885PLAU 3100/4885SMN1; SMN2 3224/4885

“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.