SCHEMBL4044556

SCHEMBL4044556

COc1cn2ncnc(C3C(=O)Nc4ccccc43)c2c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
HPGDS O60760 1/20 0.33
HSD17B10 Q99714 6/20 0.33
TSHR P16473 4/20 0.33
KDM4E B2RXH2 5/20 0.32
TP53 P04637 2/20 0.32
HTT P42858 1/20 0.32
IDO1 P14902 1/20 0.32
ALDH1A1 P00352 6/20 0.32
ALOX15 P16050 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4044576 0.91 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4047213 0.89 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4049523 0.89 HSD17B10 (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL14470113 0.89 ALDH1A1 (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5741016 0.87 HSD17B10 (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4041795 0.85 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL27581888 0.84 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5740098 0.80 ALDH1A1 (0.41) MAPTGAAHSD17B10TSHRKDM4E
SCHEMBL5740256 0.80 MAPT (0.35) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5740055 0.80 MAPT (0.35) PDE4APDE4BPDE4CPDE4DMAPT

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 13 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
CN-1351498-A Pyrrolotriazines inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2002-05-29 CN claimed
CN-1351498-B Pyrrolotriazines inhibitors of kinases BRISTOL MYERS SQUIBB CO 2012-08-15 CN disclosed
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
CN-1351498-A Pyrrolotriazines inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2002-05-29 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 (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 PDE4A 4275/4885PDE4B 4302/4885PDE4C 4612/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 PDE4A 4275/4885PDE4B 4302/4885PDE4C 4612/4885

“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.