SCHEMBL5897394

SCHEMBL5897394

Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
ALDH1A1 P00352 4/20 0.62
GAA P10253 1/20 0.62
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
LMNA P02545 3/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPK1 P28482 1/20 0.57
MAPK14 Q16539 3/20 0.56
POLB P06746 3/20 0.55
RAF1 P04049 1/20 0.54
BRAF P15056 1/20 0.54

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
SCHEMBL2969941 0.92 ALDH1A1 (0.70) MAPTALDH1A1GAARAB9ANPC1
SCHEMBL6485739 0.91 SMN1; SMN2 (0.59) MAPTALDH1A1GAARAB9ANPC1
SCHEMBL6488441 0.90 SMN1; SMN2 (0.60) MAPTALDH1A1GAARAB9ANPC1
SCHEMBL4829487 0.86 RAF1 (0.60) MAPTALDH1A1GAARAB9ANPC1
SCHEMBL6488111 0.85 MAPK14 (0.63) MAPTGAALMNAMEN1KMT2A
SCHEMBL6782804 0.84 MAPK14 (0.73) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL5897175 0.83 MAPK14 (0.59) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL31524049 0.82 MAPK14 (0.65) RAB9ANPC1MAPK14RAF1BRAF
SCHEMBL4832964 0.82 MAPK14 (0.65) RAB9ANPC1MAPK14RAF1BRAF
SCHEMBL7681116 0.82 MAPT (0.59) MAPTALDH1A1GAAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098467-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 US disclosed
US-20110098467-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 US disclosed
EP-2289894-A2 Pyrrolo-triazine compounds useful as kinase inhibitors Bristol-Myers Squibb Company (US) 2011-03-02 EP disclosed
US-20100240646-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-09-23 US disclosed
US-20100240646-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-09-23 US disclosed
US-7759343-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-20 US disclosed
US-7759343-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-20 US disclosed
US-20090105243-A1 Pyrrolo-Triazine Aniline Compounds Useful As Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-04-23 US disclosed
US-20090105243-A1 Pyrrolo-Triazine Aniline Compounds Useful As Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-04-23 US disclosed
US-7462616-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-09 US disclosed
CN-1321150-A Amide derivs. useful as inhibitors of production of cytokines ASTRAZENECA AB (SE) 2001-11-07 CN disclosed
CN-1321151-A Chemical compounds ASTRAZENECA AB (SE) 2001-11-07 CN disclosed
EP-1117653-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2001-07-25 EP disclosed
CN-1300278-A Benzamide derivatives for the treatment of diseases caused by cytokines ASTRA ZENECA LTD (SE) 2001-06-20 CN disclosed
EP-1102750-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES AstraZeneca AB (SE) 2001-05-30 EP disclosed
WO-2001027089-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-04-19 WO disclosed
EP-1077931-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
WO-2000020402-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed
WO-2000007991-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES ASTRAZENECA AB (SE) 2000-02-17 WO disclosed
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 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 (3 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-20110098467-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS PLK2, CDK2, MAP3K15 MAPT 1958/4885ALDH1A1 3629/4885GAA 3354/4885
US-20090105243-A1 Pyrrolo-Triazine Aniline Compounds Useful As Kinase Inhibitors PLK2, CDK2, MAP3K15 MAPT 1958/4885ALDH1A1 3629/4885GAA 3354/4885
US-20100240646-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS PLK2, CDK2, MAP3K15 MAPT 1958/4885ALDH1A1 3629/4885GAA 3354/4885

“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.