SCHEMBL2190472

SCHEMBL2190472

COc1cc2ncnc(Nc3ccc4nc(NC(=O)c5cccnc5)sc4c3)c2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
MAPT P10636 2/20 0.61
RAB9A P51151 2/20 0.61
SCD O00767 2/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.59
AURKB Q96GD4 4/20 0.58
AURKA O14965 1/20 0.58
EGFR P00533 4/20 0.56
MAPK14 Q16539 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDR P35968 7/20 0.55
IRAK4 Q9NWZ3 1/20 0.52

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
SCHEMBL2189831 0.91 AURKB (0.71) AURKBAURKAEGFRMAPK14KDR
SCHEMBL2191897 0.90 AURKB (0.59) AURKBAURKAEGFRMAPK14KDR
SCHEMBL2190156 0.84 AURKB (0.71) AURKBAURKAEGFRMAPK14KDR
SCHEMBL3947988 0.84 AURKB (0.71) AURKBAURKAEGFRMAPK14KDR
SCHEMBL3945122 0.81 KDR (0.60) MAPTSCDAURKBAURKAEGFR
SCHEMBL3947622 0.80 KDR (0.73) MAPTALDH1A1LMNAAURKBAURKA
SCHEMBL4374318 0.80 SCD (0.70) NPC1MAPTRAB9ASCDALDH1A1
SCHEMBL3949424 0.80 KDR (0.61) NPC1RAB9ASCDAURKBAURKA
SCHEMBL3949732 0.80 KDR (0.72) MAPTRAB9AAURKBAURKAEGFR
SCHEMBL2190824 0.79 EGFR (0.78) MAPTALDH1A1AURKBAURKAEGFR

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 12 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-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
EP-1833823-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE ANALOGUES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2007-09-19 EP disclosed
WO-2006069740-A1 2, 5 AND 2, 6-DISUBSTITUTED BENZAZOLE ANALOGUES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2006-07-06 WO 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 NPC1 2073/4885MAPT 4328/4885RAB9A 3254/4885
US-20110172241-A1 Benzazole analogues and uses thereof CYP3A5, CYP3A7, CYP3A43 NPC1 2073/4885MAPT 4328/4885RAB9A 3254/4885
US-20090270410-A1 BENZAZOLE ANALOGUES AND USES THEREOF CYP3A5, CYP3A7, CYP3A43 NPC1 1968/4885MAPT 4445/4885RAB9A 3001/4885

“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.