SCHEMBL4044523

SCHEMBL4044523

Cc1c(NS(=O)(=O)CCCN2CCOCC2)cn2ncnc(C3C(=O)Nc4ccccc43)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.39
KDR P35968 2/20 0.35
HTR7 P34969 5/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK14 Q16539 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MET P08581 1/20 0.33
HPGD P15428 1/20 0.33
FPR1 P21462 1/20 0.33
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL4042710 0.85 CHEK1 (0.39) CHEK1KDRKDM4ENPSR1MAPK14
SCHEMBL4050351 0.84 MAP2K1 (0.44) KDRALDH1A1MAPTMEN1KMT2A
SCHEMBL5514529 0.83 MAP2K1 (0.44) CHEK1KDRALDH1A1MAPTMAPK14
SCHEMBL4042728 0.80 KDR (0.57) KDRALDH1A1KDM4EMAPTNPSR1
SCHEMBL5518026 0.80 KMT2A (0.32) ALDH1A1KDM4EMAPK14KMT2A
SCHEMBL4044052 0.80 KDR (0.54) KDRKDM4EMAPTNPSR1MAPK14
SCHEMBL4044133 0.79 CHEK1 (0.40) CHEK1KDRHTR7ALDH1A1KDM4E
SCHEMBL1461285 0.79 MAPK14 (0.53) KDRMAPK14MEN1KMT2AMET
SCHEMBL4053007 0.78 KDR (0.41) CHEK1KDRHTR7ALDH1A1KDM4E
SCHEMBL5516119 0.74 KDR (0.48) KDRALDH1A1KDM4EMAPTMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP claimed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 US claimed
EP-1669071-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP disclosed
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-7112675-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 US disclosed
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-06-15 US disclosed
EP-1669071-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-14 EP disclosed
EP-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP disclosed
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 US 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-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 CHEK1 1143/4885KDR 8/4885HTR7 1471/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 CHEK1 1143/4885KDR 8/4885HTR7 1471/4885

“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.