Nitric Acid

Nitric Acid

SCHEMBL6033192

N=C(N)Nc1ccc(-n2ccnc2)cc1.O=[N+]([O-])O

nearest known ligand 0.47

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
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
ENPP2 Q13822 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
HTT P42858 2/20 0.46
CYP3A4 P08684 3/20 0.46
BAZ2B Q9UIF8 1/20 0.46
PORCN Q9H237 2/20 0.45
ACP1 P24666 1/20 0.44
NOTUM Q6P988 1/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ADH5 P11766 1/20 0.43
F9 P00740 1/20 0.43
F10 P00742 1/20 0.43
KMT2A Q03164 3/20 0.43
CYP2D6 P10635 1/20 0.43
NPC1 O15118 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
Nitric Acid SCHEMBL6033904 0.78 NOTUM (0.44) HTTNOTUMRAB9ASMN1; SMN2ALDH1A1
Nitric Acid SCHEMBL6033195 0.78 CYP51A1 (0.48) MAPTLMNAENPP2MKNK1MKNK2
Nitric Acid SCHEMBL6033797 0.77 FBP1 (0.49) MAPTRAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL12918042 0.76 MAPT (0.58) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL7476753 0.76 IDO1 (0.51) MAPTLMNAENPP2MKNK1MKNK2
Hydrochloric Acid SCHEMBL8552820 0.75 IDO1 (0.50) MAPTLMNAENPP2MKNK1MKNK2
Hydrochloric Acid SCHEMBL7464357 0.75 IDO1 (0.50) MAPTLMNAENPP2MKNK1MKNK2
Nitric Acid SCHEMBL6034193 0.74 TBXAS1 (0.69) LMNAALDH1A1KMT2AMEN1
Nitric Acid SCHEMBL2852035 0.74 PEPD (0.52) MAPTLMNACYP3A4ALDH1A1F10
Pyraxinine SCHEMBL11269578 0.74 CYP11B1 (0.52) MAPTLMNARAB9ASMN1; SMN2ALDH1A1

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 MAPT 3073/4885LMNA 4343/4885ENPP2 2830/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR MAPT 3079/4885LMNA 4323/4885ENPP2 2793/4885

“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.