Sugi Predict

Sugi Predict / Compounds / SCHEMBL4041795

SCHEMBL4041795

SCHEMBL4041795

COc1c(C(=O)O)cn2ncnc(C3C(=O)Nc4ccccc43)c12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ IDO1 P14902 3/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAP2K1 Q02750 1/20 0.31

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
SCHEMBL1462071 0.87 MAPK14 (0.38) MAPTIDO1TDO2ALDH1A1L3MBTL1
SCHEMBL4044576 0.85 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4044556 0.85 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4053346 0.84 EGFR (0.42) MAPTIDO1TDO2ALDH1A1L3MBTL1
SCHEMBL4048478 0.82 KDR (0.47) MAP2K1
SCHEMBL4049523 0.82 HSD17B10 (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5741016 0.81 HSD17B10 (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4044212 0.81 KDR (0.47) MAPTALDH1A1L3MBTL1EGFRERBB2
SCHEMBL1459917 0.81 MAPK14 (0.39) MAPTGAAIDO1TDO2ALDH1A1
SCHEMBL1462051 0.80 KDR (0.45) IDO1TDO2HSD17B10TSHREGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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.