SCHEMBL1674067

SCHEMBL1674067

Cn1nnnc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
PKM P14618 2/20 0.56
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
MITF O75030 1/20 0.47
MAPT P10636 1/20 0.47
ABCC9 O60706 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
KCNJ8 Q15842 1/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
ACHE P22303 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PAX8 Q06710 1/20 0.46
PIP4K2C Q8TBX8 1/20 0.46

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
SCHEMBL4429016 0.81 KEAP1 (0.53) SMN1; SMN2PKMALDH1A1RAB9ALMNA
SCHEMBL7795251 0.80 SMN1; SMN2 (0.56) PTGS2SMN1; SMN2PKMALDH1A1RAB9A
SCHEMBL1740624 0.80 TSHR (0.50) PTGS2SMN1; SMN2PKMALDH1A1LMNA
SCHEMBL12375846 0.79 MAPT (0.57) PTGS2SMN1; SMN2PKMALDH1A1LMNA
SCHEMBL4606332 0.78 SMN1; SMN2 (0.51) SMN1; SMN2PKMALDH1A1RAB9ALMNA
SCHEMBL13225987 0.77 SMN1; SMN2 (0.46) PTGS2SMN1; SMN2PKMALDH1A1LMNA
SCHEMBL584214 0.77 SMN1; SMN2 (0.46) PTGS2SMN1; SMN2PKMALDH1A1RXFP1
SCHEMBL17674013 0.77 ALDH1A1 (0.49) PTGS2SMN1; SMN2PKMALDH1A1RAB9A
SCHEMBL5966721 0.76 SMN1; SMN2 (0.55) PTGS2SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL13225994 0.76 LMNA (0.47) PTGS2SMN1; SMN2PKMALDH1A1RXFP1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 US disclosed
EP-2027124-B1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV (BE) 2013-07-03 EP disclosed
US-8178530-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-15 US disclosed
US-8173656-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-08 US disclosed
US-20110218178-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV 2011-09-08 US disclosed
US-20110092497-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV 2011-04-21 US disclosed
EP-1363881-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-11-26 EP disclosed
US-6638950-B2 Antiasthmatics and antiallergens, treating autoimmune pathologies such as rheumatoid arthritis and atherosclerosis BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-10-28 US disclosed
US-6605623-B1 Prevention of asthma and other allergic diseases BRISTOL-MYERS SQUIBB PHARMA CO. 2003-08-12 US disclosed
EP-1296949-A2 PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-04-02 EP disclosed
EP-1294690-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-03-26 EP disclosed
US-6525069-B1 Such as N-(t-butyl)-N'-(2-((3-(4-fluorophenyl)methyl)piperi -dinyl)methyl)cyclohexyl)urea; prevention of asthma and other allergic diseases BRISTOL-MYERS SQUIBB PHARMA CO. 2003-02-25 US disclosed
US-20020156102-A1 Piperidine amides as modulators of chemo kine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-10-24 US disclosed
WO-2001098269-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed
WO-2001098268-A2 PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed
WO-2001098270-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 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-20020156102-A1 Piperidine amides as modulators of chemo kine receptor activity CCR3, CCR1, ACKR3 PTGS2 2141/4885SMN1; SMN2 2820/4885PKM 2531/4885
US-20110218178-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IKZF3, IRAK2, IRAK1 PTGS2 64/4885SMN1; SMN2 526/4885PKM 1450/4885
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 PTGS2 2528/4885SMN1; SMN2 3989/4885PKM 905/4885
US-20110092497-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IKZF3, IRAK2, IRAK1 PTGS2 64/4885SMN1; SMN2 526/4885PKM 1450/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 PTGS2 2528/4885SMN1; SMN2 3989/4885PKM 905/4885

“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.