Nitric Acid

Nitric Acid

SCHEMBL6034737

NC(N)=Nc1ccc(F)c(C(F)(F)F)c1.O=[N+]([O-])O

nearest known ligand 0.55

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 18)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 9/20 0.55
HTR3B O95264 9/20 0.55
HTR3A P46098 9/20 0.55
HTR3D Q70Z44 9/20 0.55
HTR3C Q8WXA8 9/20 0.55
PLAU P00749 5/20 0.45
SLC22A2 O15244 3/20 0.40
SLC22A1 O15245 3/20 0.40
SLC22A3 O75751 3/20 0.40
IDO1 P14902 5/20 0.39
POLB P06746 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PRSS1 P07477 2/20 0.35
ACR P10323 2/20 0.35

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 SCHEMBL6034777 0.84 PLAU (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL6034257 0.79 ITGB3 (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL3859434 0.79 PLAU (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL11561556 0.77 PLAU (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL5733225 0.75 HTR3E (0.79) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL6033747 0.74 PLAU (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL4613845 0.74 PLAU (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL2910175 0.73 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL1363670 0.72 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL6034740 0.71 AR (0.47) CYP2C19

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 HTR3E 1499/4885HTR3B 1512/4885HTR3A 664/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR HTR3E 1249/4885HTR3B 1267/4885HTR3A 544/4885

“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.