SCHEMBL2190460

SCHEMBL2190460

COc1cc2ncnc(Nc3ccc4nc(NC(=O)c5ccccc5)sc4c3)c2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.78
KDR P35968 16/20 0.78
AURKA O14965 11/20 0.67
AURKB Q96GD4 10/20 0.67
ROCK2 O75116 1/20 0.67
ALDH1A1 P00352 1/20 0.67
LCK P06239 1/20 0.67
FYN P06241 1/20 0.67
RET P07949 1/20 0.67
MET P08581 1/20 0.67
MAPT P10636 1/20 0.67
SRC P12931 1/20 0.67
PDGFRA P16234 1/20 0.67
LTK P29376 1/20 0.67
TTK P33981 1/20 0.67
MAP2K2 P36507 1/20 0.67
MAP2K1 Q02750 1/20 0.67
BTK Q06187 1/20 0.67
TYRO3 Q06418 1/20 0.67
TNK2 Q07912 1/20 0.67

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
SCHEMBL2190824 1.00 EGFR (0.78) EGFRKDRAURKAAURKBROCK2
SCHEMBL3948578 0.94 EGFR (0.78) EGFRKDRAURKAAURKBROCK2
SCHEMBL2195995 0.94 EGFR (0.78) EGFRKDRAURKAAURKBROCK2
SCHEMBL2192340 0.94 EGFR (0.78) EGFRKDRAURKAAURKBROCK2
SCHEMBL12507380 0.93 EGFR (0.68) EGFRKDRAURKAAURKBTEK
SCHEMBL2191245 0.93 EGFR (0.79) EGFRKDRAURKAAURKBTEK
SCHEMBL2189126 0.89 EGFR (0.70) EGFRKDRAURKAAURKBTEK
Acetic Acid SCHEMBL1504854 0.89 EGFR (0.68) EGFRKDRAURKAAURKBTEK
SCHEMBL3953817 0.88 EGFR (0.78) EGFRKDRAURKAAURKBROCK2
SCHEMBL3951593 0.88 EGFR (0.78) EGFRKDRAURKAAURKBROCK2

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 EGFR 4233/4885KDR 4179/4885AURKA 1705/4885
US-20110172241-A1 Benzazole analogues and uses thereof CYP3A5, CYP3A7, CYP3A43 EGFR 4233/4885KDR 4179/4885AURKA 1705/4885
US-20090270410-A1 BENZAZOLE ANALOGUES AND USES THEREOF CYP3A5, CYP3A7, CYP3A43 EGFR 4205/4885KDR 4089/4885AURKA 1801/4885

“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.