Nitric Acid

Nitric Acid

SCHEMBL1363345

N=C(N)Nc1ccc(N2CCOCC2)cc1.O=[N+]([O-])O

nearest known ligand 0.57

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 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.54
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
RAC1 P63000 1/20 0.49
POLB P06746 2/20 0.49
ATM Q13315 1/20 0.49
EPHX1 P07099 1/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL1592539 0.89 MAPT (0.58) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
Bicarbonate SCHEMBL3549893 0.87 MAPT (0.60) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
Nitric Acid SCHEMBL2075593 0.84 SIRT6 (0.54) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
Nitric Acid SCHEMBL2075754 0.81 MAPT (0.64) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL17777345 0.79 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28786813 0.79 MAPT (0.65) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL19371386 0.78 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
Nitric Acid SCHEMBL2073517 0.77 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1HDAC8HDAC6
SCHEMBL4166259 0.76 MAPT (0.61) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4172379 0.75 MAPT (0.50) MAPTNPC1RAB9ASMN1; 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067409-B2 Protein kinase inhibitors ABBOTT LABORATORIES (US) 2011-11-29 US disclosed
US-7897605-B2 Pyrimidine compounds CYCLACEL LIMITED (GB) 2011-03-01 US disclosed
EP-2222682-A1 IMIDAZO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2010-09-01 EP disclosed
EP-1641805-B1 THIAZOLO-, OXAZALO AND IMIDAZOLO-QUINAZOLINE COMPOUNDS CAPABLE OF INHIBITING PROTEIN KINASES CYCLACEL LTD (GB) 2010-01-13 EP disclosed
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy CYCLACEL LIMITED (GB) 2009-12-24 US disclosed
US-20090253723-A1 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-10-08 US disclosed
US-7576091-B2 Thiazolo-, oxazalo and imidazolo-quinazoline compounds capable of inhibiting protein kinases CYCLACEL LIMITED (GB) 2009-08-18 US disclosed
WO-2009070516-A1 IMIDAZO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-06-04 WO disclosed
US-20080287439-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2008-11-20 US disclosed
US-7432260-B2 Pyrimidine compounds CYCLACEL LIMTED (GB) 2008-10-07 US disclosed
EP-1567522-A1 PYRIMIDINE COMPOUNDS Cyclacel Limited (GB) 2005-08-31 EP disclosed
WO-2005052147-A2 METHOD OF SCREENING FOR A MODULATOR OF CDK4 CYCLACEL LIMITED (GB) 2005-06-09 WO disclosed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO disclosed
WO-2005005438-A1 THIAZOLO-, OXAZALO AND IMIDAZOLO-QUINAZOLINE COMPOUNDS CAPABLE OF INHIBITING PROT EIN KINASES CYCLACEL LIMITED (GB) 2005-01-20 WO disclosed
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMTIED 2004-09-16 US disclosed
WO-2004043953-A1 PYRIMIDINE COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO 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 (5 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-20090253723-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 MAPT 1359/4885NPC1 1884/4885RAB9A 1753/4885
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR MAPT 3073/4885NPC1 3120/4885RAB9A 3945/4885
US-20080287439-A1 Pyrimidine compounds CDK2, CCNI, CDK6 MAPT 1954/4885NPC1 3230/4885RAB9A 3043/4885
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy ABL1, CDK2, JAK2 MAPT 1185/4885NPC1 1235/4885RAB9A 2691/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR MAPT 3079/4885NPC1 3160/4885RAB9A 4037/4885

“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.