SCHEMBL12336407

SCHEMBL12336407

COc1ccc2c(Oc3ccc(-c4nnc(Nc5cccc(C(F)(F)F)c5)o4)cc3)ccnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.53
▸ GSK3A P49840 1/20 0.50
▸ KDR P35968 4/20 0.49
▸ BRAF P15056 2/20 0.48
▸ MAPK14 Q16539 1/20 0.48
▸ TNNI3K Q59H18 1/20 0.48
▸ GAK O14976 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ FGFR2 P21802 3/20 0.44
▸ EGFR P00533 2/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ IDO1 P14902 1/20 0.44

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
SCHEMBL12336429 0.93 KDR (0.49) GSK3BGSK3AKDRBRAFMAPK14
SCHEMBL12336252 0.90 KDR (0.60) GSK3BKDRBRAFMAPK14TNNI3K
SCHEMBL14949193 0.88 KDR (0.51) GSK3BKDRACHEFGFR2NPC1
SCHEMBL14949498 0.86 GSK3B (0.45) GSK3BKDRACHEFGFR2IDO1
SCHEMBL12336497 0.82 GSK3A (0.51) GSK3BGSK3AKDRBRAFMAPK14
SCHEMBL12336431 0.82 KDR (0.54) GSK3BKDRBRAFMAPK14TNNI3K
SCHEMBL12336406 0.81 GSK3A (0.50) GSK3BGSK3AKDRBRAFMAPK14
SCHEMBL14949327 0.81 KDR (0.48) GSK3BKDRACHEFGFR2KDM4E
SCHEMBL12336254 0.80 GSK3A (0.50) GSK3BGSK3AKDRBRAFMAPK14
SCHEMBL12336240 0.79 GSK3B (0.60) GSK3BKDRBRAFMAPK14TNNI3K

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 GSK3B 581/4885GSK3A 590/4885KDR 533/4885
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 GSK3B 581/4885GSK3A 590/4885KDR 533/4885
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 GSK3B 581/4885GSK3A 590/4885KDR 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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