SCHEMBL12336497

SCHEMBL12336497

COc1ccc2c(Oc3ccc(-c4nnc(Nc5cccc(C(F)(F)F)c5)s4)cc3)ccnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.51
▸ GSK3B P49841 1/20 0.51
▸ KDR P35968 7/20 0.49
▸ BRAF P15056 2/20 0.49
▸ MAPK14 Q16539 2/20 0.49
▸ TNNI3K Q59H18 2/20 0.49
▸ GAK O14976 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ PIK3CD O00329 1/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ MET P08581 4/20 0.43
▸ GUSB P08236 1/20 0.43
▸ FGFR2 P21802 3/20 0.43
▸ ABCG2 Q9UNQ0 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ AURKA O14965 1/20 0.42
▸ TEK Q02763 1/20 0.42

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
SCHEMBL12336513 0.93 GSK3A (0.49) GSK3AGSK3BKDRBRAFMAPK14
SCHEMBL12336504 0.89 KDR (0.61) KDRBRAFMAPK14TNNI3KGAK
SCHEMBL14949392 0.88 KDR (0.49) KDRTP53METGUSBFGFR2
SCHEMBL14949497 0.87 MET (0.46) KDRPIK3CDPIK3CAPIK3CBMET
SCHEMBL12336407 0.82 GSK3B (0.53) GSK3AGSK3BKDRBRAFMAPK14
SCHEMBL12336406 0.82 GSK3A (0.50) GSK3AGSK3BKDRBRAFMAPK14
SCHEMBL12336498 0.81 KDR (0.55) KDRBRAFMAPK14TNNI3KGAK
SCHEMBL14949410 0.81 MET (0.51) KDRMETFGFR2AURKATEK
SCHEMBL12336254 0.80 GSK3A (0.50) GSK3AGSK3BKDRBRAFMAPK14
SCHEMBL12336429 0.77 KDR (0.49) GSK3AGSK3BKDRBRAFMAPK14

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-2550266-B1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION AMITECH THERAPEUTICS SOLUTIONS INC (US) 2018-05-09 — — EP disclosed
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2016-04-07 — — US disclosed
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2016-04-07 — — US disclosed
US-9212151-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-12-15 — — US disclosed
US-9212151-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-12-15 — — US disclosed
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2015-06-11 — — US disclosed
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2015-06-11 — — US disclosed
US-8957216-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-02-17 — — US disclosed
US-8957216-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-02-17 — — US disclosed
US-20130123284-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION AMITECH THERAPEUTIC SOLUTIONS INC (US) 2013-05-16 — — US disclosed
WO-2011119894-A2 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION KINAGEN, INC (US) 2011-09-29 — — 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 (3 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-20130123284-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION MAP4K2, MAP3K20, MAP3K19 GSK3A 590/4885GSK3B 581/4885KDR 533/4885
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 GSK3A 590/4885GSK3B 581/4885KDR 533/4885
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 GSK3A 590/4885GSK3B 581/4885KDR 533/4885

“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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