SCHEMBL3090226

SCHEMBL3090226

COc1ccccc1-c1ccc2nc(NC(=O)CC3CCCCC3)nn2c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 7/20 0.68
▸ PIK3CD O00329 4/20 0.68
▸ TTK P33981 5/20 0.51
▸ PIK3CA P42336 2/20 0.48
▸ JAK1 P23458 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ EPHX2 P34913 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3081503 0.84 PIK3CG (0.77) PIK3CGPIK3CDTTKPIK3CAJAK1
SCHEMBL3098870 0.82 PIK3CG (0.74) PIK3CGPIK3CDTTKPIK3CAJAK1
SCHEMBL3098937 0.82 PIK3CG (1.00) PIK3CGPIK3CDTTKPIK3CAHSD17B10
SCHEMBL3092025 0.81 PIK3CG (0.71) PIK3CGPIK3CDTTKPIK3CA
SCHEMBL1933434 0.78 TTK (0.75) PIK3CGPIK3CDTTK
SCHEMBL13154308 0.75 PIK3CG (0.71) PIK3CGPIK3CDTTKPIK3CAKDM4E
SCHEMBL13154311 0.74 PIK3CG (0.70) PIK3CGPIK3CDTTKPIK3CAJAK1
Cyclopropane SCHEMBL16986949 0.69 PIK3CG (0.53) PIK3CGPIK3CDTTKPIK3CA
SCHEMBL3086573 0.69 PIK3CG (0.74) PIK3CGPIK3CDPIK3CA
SCHEMBL3098985 0.69 PIK3CG (0.74) PIK3CGPIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883820-B2 Triazole derivatives as kinase inhibitors CELLZOME LTD. (GB) 2014-11-11 — — US claimed
US-20100227800-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2010-09-09 — — US claimed
EP-2057158-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS Cellzome Limited (GB) 2009-05-13 — — EP claimed
WO-2008025821-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 — — WO claimed
EP-2057158-B1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LTD (GB) 2015-08-12 — — EP disclosed
US-8883820-B2 Triazole derivatives as kinase inhibitors CELLZOME LTD. (GB) 2014-11-11 — — US disclosed
US-8883820-B2 Triazole derivatives as kinase inhibitors CELLZOME LTD. (GB) 2014-11-11 — — US disclosed
US-8883820-B2 Triazole derivatives as kinase inhibitors CELLZOME LTD. (GB) 2014-11-11 — — US disclosed
US-20100227800-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2010-09-09 — — US disclosed
US-20100227800-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2010-09-09 — — US disclosed
US-20100227800-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2010-09-09 — — US disclosed
EP-2057158-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS Cellzome Limited (GB) 2009-05-13 — — EP disclosed
WO-2008025821-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 — — WO disclosed
WO-2008025821-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 — — 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 (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-20100227800-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS ITK, PIK3C3, TXK PIK3CG 55/4885PIK3CD 19/4885TTK 97/4885

“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.

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