SCHEMBL2190338

SCHEMBL2190338

CN1CCN(c2ccnc(Nc3ccc4sc(NC(=O)c5ccccc5)nc4c3)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.55
▸ FLT4 P35916 1/20 0.55
▸ SYK P43405 4/20 0.48
▸ JAK2 O60674 2/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ TRPV4 Q9HBA0 2/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PIK3CA P42336 1/20 0.45
▸ PARP1 P09874 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ TNIK Q9UKE5 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43

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
SCHEMBL2191127 0.93 AURKA (0.55) AURKAFLT4JAK2FLT3NPC1
SCHEMBL5204723 0.83 RAB9A (0.52) AURKAFLT4NPC1RAB9AMEN1
SCHEMBL2192058 0.75 AURKA (0.57) AURKAFLT4JAK2NPC1RAB9A
SCHEMBL5256958 0.71 AURKA (1.00) AURKAFLT4NPC1RAB9AMEN1
SCHEMBL5260039 0.71 AURKA (0.80) AURKAFLT4JAK2NPC1RAB9A
SCHEMBL2195995 0.69 EGFR (0.78) AURKAFLT4LCKKDREGFR
SCHEMBL5189073 0.69 CASP3 (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2190866 0.68 AURKA (0.57) AURKAFLT4NPC1RAB9ASMN1; SMN2
SCHEMBL5103304 0.68 KIT (0.57) SYKJAK2FLT3NPC1RAB9A
SCHEMBL28322770 0.68 JAK2 (0.71) AURKASYKJAK2FLT3EGFR

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
US-20110172241-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2011-07-14 — — US disclosed
US-20110172241-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2011-07-14 — — US disclosed
US-20110172241-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2011-07-14 — — US disclosed
US-20090270410-A1 BENZAZOLE ANALOGUES AND USES THEREOF 4SC AG (DE) 2009-10-29 — — US disclosed
US-20090270410-A1 BENZAZOLE ANALOGUES AND USES THEREOF 4SC AG (DE) 2009-10-29 — — US disclosed
US-20090270410-A1 BENZAZOLE ANALOGUES AND USES THEREOF 4SC AG (DE) 2009-10-29 — — US disclosed
US-7576090-B2 e.g. N-[2-(6,7-Dimethoxyquinazolin-4-ylamino)benzothiazol-6-yl ]benzamide; multi-target protein kinase, especially epidermal and endothrlial growth factor, inhibitors; antiproliferative, anticarcinogenic agent 4SC AG (DE) 2009-08-18 — — US disclosed
US-7576090-B2 e.g. N-[2-(6,7-Dimethoxyquinazolin-4-ylamino)benzothiazol-6-yl ]benzamide; multi-target protein kinase, especially epidermal and endothrlial growth factor, inhibitors; antiproliferative, anticarcinogenic agent 4SC AG (DE) 2009-08-18 — — US disclosed
US-7576090-B2 e.g. N-[2-(6,7-Dimethoxyquinazolin-4-ylamino)benzothiazol-6-yl ]benzamide; multi-target protein kinase, especially epidermal and endothrlial growth factor, inhibitors; antiproliferative, anticarcinogenic agent 4SC AG (DE) 2009-08-18 — — US disclosed
US-20060142570-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2006-06-29 — — US disclosed
EP-1674466-A1 2,5- and 2,6-disubstituted benzazole analogues useful as protein kinase inhibitors 4SC AG (DE) 2006-06-28 — — EP 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-20060142570-A1 Benzazole analogues and uses thereof CYP3A5, CYP3A7, CYP3A43 AURKA 1705/4885FLT4 2428/4885SYK 1556/4885
US-20110172241-A1 Benzazole analogues and uses thereof CYP3A5, CYP3A7, CYP3A43 AURKA 1705/4885FLT4 2428/4885SYK 1556/4885
US-20090270410-A1 BENZAZOLE ANALOGUES AND USES THEREOF CYP3A5, CYP3A7, CYP3A43 AURKA 1801/4885FLT4 2391/4885SYK 1587/4885

“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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