Nitric Acid

Nitric Acid

SCHEMBL6033852

N=C(N)Nc1ccc(F)cc1F.O=[N+]([O-])O

nearest known ligand 0.53

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
HTT P42858 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CYP2C19 P33261 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
PKM P14618 1/20 0.41

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 SCHEMBL6033841 1.00 HTT (0.49) HTTALDH1A1MEN1MAPTKMT2A
SCHEMBL9316696 0.88 HTT (0.51) HTTALDH1A1SMN1; SMN2LMNACA12
SCHEMBL11879118 0.81 KCNMA1 (0.56) HTTALDH1A1MEN1MAPTKMT2A
SCHEMBL11880298 0.81 MAPT (0.52) HTTALDH1A1MEN1MAPTKMT2A
Nitric Acid SCHEMBL6033224 0.81 RAB9A (0.50) HTTALDH1A1MEN1MAPTKMT2A
Nitric Acid SCHEMBL20984448 0.80 CA1 (0.50) HTTALDH1A1MEN1MAPTKMT2A
Nitric Acid SCHEMBL4613840 0.77 ALDH1A1 (0.53) HTTALDH1A1MEN1MAPTKMT2A
SCHEMBL11320624 0.76 RAB9A (0.56) HTTALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4098040 0.76 HTT (0.46) HTTALDH1A1SMN1; SMN2LMNACA12
SCHEMBL31195423 0.76 HTT (0.46) HTTALDH1A1SMN1; SMN2LMNACA12

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 HTT 3078/4885ALDH1A1 873/4885MEN1 4739/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR HTT 3148/4885ALDH1A1 859/4885MEN1 4769/4885

“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.