Nitric Acid

Nitric Acid

SCHEMBL2075593

CN1CCN(c2ccc(NC(=N)N)cc2)CC1.O=[N+]([O-])O

nearest known ligand 0.54

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
SIRT6 Q8N6T7 2/20 0.54
NPC1 O15118 9/20 0.52
RAB9A P51151 9/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.47
KDM1A O60341 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
KDM1B Q8NB78 2/20 0.47
RCOR1 Q9UKL0 2/20 0.47

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
SCHEMBL2233880 0.90 RAB9A (0.57) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
Hydrochloric Acid SCHEMBL658863 0.88 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
Nitric Acid SCHEMBL2075754 0.85 MAPT (0.64) NPC1RAB9AALDH1A1GAAPOLB
Nitric Acid SCHEMBL1363345 0.84 MAPT (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
Nitric Acid SCHEMBL27217371 0.82 RAB9A (0.55) RAB9ASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL1430921 0.79 RAB9A (0.64) NPC1RAB9ASMN1; SMN2TSHRGAA
Nitric Acid SCHEMBL2073517 0.79 MAPT (0.54) SMN1; SMN2TSHRALDH1A1GAANPSR1
SCHEMBL12727668 0.77 RAB9A (0.57) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL3613703 0.76 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
Nitric Acid SCHEMBL6991286 0.76 ADRA2C (0.66) SIRT6NPC1RAB9ASMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897605-B2 Pyrimidine compounds CYCLACEL LIMITED (GB) 2011-03-01 US 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-1864983-A1 PYRIMIDINE COMPOUNDS AS CYCLIN-DEPENDENT KINASE INHIBITORS Cyclacel Limited (GB) 2007-12-12 EP disclosed
EP-1567522-B1 PYRIMIDINE COMPOUNDS CYCLACEL LTD (GB) 2007-09-19 EP disclosed
US-20050192300-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2005-09-01 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-2004043953-A1 PYRIMIDINE COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO disclosed
EP-0989985-B1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-11-05 EP disclosed
US-6133257-A Fused polycyclic 2-aminopyrimidine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2000-10-17 US disclosed
EP-0989985-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-05 EP disclosed
WO-1998058926-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-12-30 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-20080287439-A1 Pyrimidine compounds CDK2, CCNI, CDK6 SIRT6 1574/4885NPC1 3230/4885RAB9A 3043/4885
US-20050192300-A1 Pyrimidine compounds CDK2, CCNI, CDK6 SIRT6 1574/4885NPC1 3230/4885RAB9A 3043/4885

“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.