SCHEMBL240523

SCHEMBL240523

Cc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
POLB P06746 2/20 0.62
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 1/20 0.55
HCAR3 P49019 1/20 0.55
MAPT P10636 1/20 0.54
LMNA P02545 1/20 0.54
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAPK14 Q16539 1/20 0.52

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
SCHEMBL12443203 0.93 LMNA (0.62) TSHRPOLBALDH1A1MEN1KMT2A
SCHEMBL844601 0.89 TSHR (0.63) TSHRPOLBALDH1A1MEN1KMT2A
SCHEMBL7038879 0.83 GLA (0.70) TSHRPOLBMEN1KMT2ACYP2C9
SCHEMBL28079640 0.83 TSHR (0.60) TSHRPOLBALDH1A1MEN1KMT2A
SCHEMBL31546610 0.83 POLB (0.62) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2224151 0.83 VCAM1 (0.65) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL14236838 0.82 TSHR (0.58) TSHRPOLBALDH1A1MEN1KMT2A
SCHEMBL19174812 0.81 ALDH1A1 (0.58) TSHRPOLBALDH1A1MEN1KMT2A
SCHEMBL31229576 0.81 POLB (0.60) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL6463612 0.81 MCHR1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742124-B2 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors ASTRAZENECA AB (SE) 2014-06-03 US disclosed
CN-103012376-A Amide derivatives ASTRAZENECA AB 2013-04-03 CN disclosed
US-20130035346-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2013-02-07 US disclosed
US-20120108594-A1 PROCESS FOR PREPARING SALTS OF 4-[[5-[(CYCLOPROPYLAMINO)CARBONYL]-2-METHYLPHENYL]AMINO]-5-METHYL-N-PROPYLPYRROLO[2,1-f][1,2,4]TRIAZINE-6-CARBOXAMIDE AND NOVEL STABLE FORMS PRODUCED THEREIN BRISTOL-MYERS SQUIBB COMPANY 2012-05-03 US disclosed
US-20120108594-A1 PROCESS FOR PREPARING SALTS OF 4-[[5-[(CYCLOPROPYLAMINO)CARBONYL]-2-METHYLPHENYL]AMINO]-5-METHYL-N-PROPYLPYRROLO[2,1-f][1,2,4]TRIAZINE-6-CARBOXAMIDE AND NOVEL STABLE FORMS PRODUCED THEREIN BRISTOL-MYERS SQUIBB COMPANY 2012-05-03 US disclosed
US-20120004243-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2012-01-05 US disclosed
US-7943776-B2 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors ASRAZENECA AB (SE) 2011-05-17 US disclosed
EP-1831174-B1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2011-03-02 EP disclosed
EP-1682520-B1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-23 EP disclosed
CN-1918134-B Amide derivatives with cyclopropylaminocarbonyl substituents as cytokine inhibitors ASTRAZENECA AB (SE) 2010-11-10 CN disclosed
EP-1831174-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2007-09-12 EP disclosed
US-20070135440-A1 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors ASTRAZENECA AB (SE) 2007-06-14 US disclosed
US-20070043065-A1 Amide derivatives ASTRAZENECA AB (SE) 2007-02-22 US disclosed
CN-1918134-A Amide derivatives with cyclopropylaminocarbonyl substituents as cytokine inhibitors ASTRAZENECA AB (SE) 2007-02-21 CN disclosed
CN-1898216-A Amide derivatives ASTRAZENECA AB (SE) 2007-01-17 CN disclosed
EP-1699766-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2006-09-13 EP disclosed
EP-1682520-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2006-07-26 EP disclosed
WO-2006067444-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
WO-2005061465-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTO KINE INHIBITORS ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
WO-2005042502-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-05-12 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-20070135440-A1 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors IL2, IL6, IL1B TSHR 1083/4885POLB 1634/4885ALDH1A1 392/4885
US-20070043065-A1 Amide derivatives IL6, IL2, IL1B TSHR 333/4885POLB 3208/4885ALDH1A1 264/4885
US-20120108594-A1 PROCESS FOR PREPARING SALTS OF 4-[[5-[(CYCLOPROPYLAMINO)CARBONYL]-2-METHYLPHENYL]AMINO]-5-METHYL-N-PROPYLPYRROLO[2,1-f][1,2,4]TRIAZINE-6-CARBOXAMIDE AND NOVEL STABLE FORMS PRODUCED THEREIN MAPK1, MAP3K1, MAP3K5 TSHR 2844/4885POLB 2911/4885ALDH1A1 3201/4885
US-20120004243-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS IL2, IL6, IL1B TSHR 1113/4885POLB 1491/4885ALDH1A1 361/4885
US-20130035346-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS IL2, IL6, IL1B TSHR 1113/4885POLB 1491/4885ALDH1A1 361/4885

“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.