Nitric Acid

Nitric Acid

SCHEMBL6955447

COc1ccc(N=C(N)N)cc1OC.O=[N+]([O-])O

nearest known ligand 0.77

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
HTR3E A5X5Y0 3/20 0.77
HTR3B O95264 3/20 0.77
HTR3A P46098 3/20 0.77
HTR3D Q70Z44 3/20 0.77
HTR3C Q8WXA8 3/20 0.77
PLAU P00749 2/20 0.49
PTGS1 P23219 2/20 0.48
PTGS2 P35354 2/20 0.48
PRSS1 P07477 2/20 0.46
ACR P10323 2/20 0.46
TAAR1 Q96RJ0 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44

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 SCHEMBL2910175 0.89 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5243029 0.88 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL6980748 0.84 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL7002143 0.79 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL2913167 0.78 HTR3E (0.79) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL6953528 0.77 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL3860675 0.76 TDP1 (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL7804174 0.76 HTR3E (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL7240334 0.76 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL6034777 0.75 PLAU (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C

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 11 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-6552029-B1 For therapy of rheumatoid arthritis, psoriasis, graft v. host disease, asthma, atopic dermatitis, allergic rhinitis, allergic conjunctivitis, complications following percutaneous transluminal coronary angioplasty, thrombosis CELLTECH R&D LIMITED (GB) 2003-04-22 US disclosed
EP-0934304-B1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 2003-02-26 EP 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-6114333-A 2-Pyrimidineamine derivatives and processes for their preparation CELLTECH THERAPEUTICS LTD. (GB) 2000-09-05 US disclosed
EP-0934304-A1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1999-08-11 EP disclosed
WO-1998018782-A1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1998-05-07 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.