SCHEMBL1735763

SCHEMBL1735763

COC(=O)Cc1cc(N)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 3/20 0.41
HSP90AB1 P08238 1/20 0.41
KDM4E B2RXH2 5/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL28575636 0.83 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2KDM4EHTTMEN1
SCHEMBL3587984 0.81 KDM4E (0.48) ALDH1A1GAASMN1; SMN2MAPTHSP90AB1
SCHEMBL1592992 0.78 GABRA5 (0.43) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL20455653 0.78 HCAR3 (0.45) ALDH1A1SMN1; SMN2MAPTHSP90AB1KDM4E
SCHEMBL3454155 0.72 ALDH1A1 (0.41) ALDH1A1GAAGFERSMN1; SMN2MAPT
SCHEMBL14688686 0.72 LMNA (0.41) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL5069229 0.72
SCHEMBL1201703 0.70 KDM4E (0.41) ALDH1A1GAAGFERSMN1; SMN2MAPT
SCHEMBL1009738 0.69 MAPK1 (0.65) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL4109248 0.69 SMN1; SMN2 (0.44) ALDH1A1GAAGFERSMN1; SMN2MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899345-B1 PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-11-16 EP disclosed
CN-101074227-B Phosphine acyloxy quinazoline derivatives and their medicine uses ASTRAZENECA AB 2010-09-29 CN disclosed
CN-100491372-C Substituted quinazoline derivatives as inhibitors of aurora kinase ASTRAZENECA AB (SE) 2009-05-27 CN disclosed
US-7402582-B2 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-22 US disclosed
EP-1899345-A1 PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-03-19 EP disclosed
CN-101074227-A Phosphine acyloxy quinazoline derivatives and their medicine using ASTRAZENECA AB (SE) 2007-11-21 CN disclosed
CN-100349906-C Phosphonoxyquinazoline derivatives and pharmaceutical use thereof ASTRAZENECA AB (SE) 2007-11-21 CN disclosed
WO-2007005630-A1 PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-11 WO disclosed
US-20070004732-A1 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
CN-1764668-A Phosphonoxyquinazoline derivatives and pharmaceutical use thereof ASTRAZENECA AB (SE) 2006-04-26 CN disclosed
CN-1620296-A Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-05-25 CN 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 (1 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-20070004732-A1 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith MAP3K20, PRKDC, MAP3K2 ALDH1A1 4028/4885GAA 1518/4885GFER 4696/4885

“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.