SCHEMBL2190137

SCHEMBL2190137

COc1cc2ncnc(Cl)c2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.64
EGFR P00533 13/20 0.62
KDR P35968 13/20 0.62
FLT4 P35916 5/20 0.62
FGFR1 P11362 3/20 0.62
FLT1 P17948 3/20 0.62
RET P07949 1/20 0.56
KIF5B P33176 1/20 0.56
KIT P10721 1/20 0.56
WEE2 P0C1S8 1/20 0.55
WEE1 P30291 1/20 0.55
PKMYT1 Q99640 1/20 0.55
AURKA O14965 3/20 0.54
TEK Q02763 3/20 0.54
AURKB Q96GD4 3/20 0.54
PDGFRB P09619 2/20 0.54
ERBB2 P04626 1/20 0.54

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
SCHEMBL2188204 1.00 ENPP1 (0.64) ENPP1EGFRKDRFLT4FGFR1
SCHEMBL3949228 0.94 ENPP1 (0.65) ENPP1EGFRKDRFLT4FGFR1
SCHEMBL3954618 0.94 ENPP1 (0.65) ENPP1EGFRKDRFLT4FGFR1
SCHEMBL5223934 0.92 ENPP1 (0.60) ENPP1EGFRKDRFLT4FGFR1
SCHEMBL1401675 0.92 ENPP1 (0.62) ENPP1EGFRKDRFLT4FGFR1
SCHEMBL3955512 0.92 ENPP1 (0.65) ENPP1EGFRKDRFLT4FGFR1
SCHEMBL2921945 0.92 ENPP1 (0.65) ENPP1EGFRKDRFLT4FGFR1
SCHEMBL7112029 0.91 ENPP1 (0.68) ENPP1EGFRKDRFLT4FGFR1
SCHEMBL2924110 0.91 ENPP1 (0.64) ENPP1EGFRKDRFLT4FGFR1
SCHEMBL4024046 0.89 ENPP1 (0.59) ENPP1EGFRKDRFLT4FGFR1

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 17 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-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-7514460-B2 Benzazole analogues and uses thereof 4SC AG (DE) 2009-04-07 US disclosed
EP-1910349-A1 2-ARYLBENZOTHIAZOLES AND USES THEREOF 4SC AG (DE) 2008-04-16 EP disclosed
EP-1885719-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2008-02-13 EP 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
US-20070149523-A1 Thiazole Analogues and Uses Thereof 4SC AG (DE) 2007-06-28 US disclosed
EP-1785420-A1 Thiazole analogues and uses thereof 4SC AG (DE) 2007-05-16 EP disclosed
WO-2007009524-A1 2-ARYLBENZOTHIAZOLES AND USES THEREOF 4SC AG (DE) 2007-01-25 WO disclosed
US-20070021446-A1 2-arylbenzothiazole analogues and uses thereof 4SC AG (DE) 2007-01-25 US disclosed
EP-1746096-A1 2-Arylbenzothiazole analogues and uses thereof in the treatment of cancer 4SC AG (DE) 2007-01-24 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
WO-2006066795-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2006-06-29 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
US-20060135782-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2006-06-22 US 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 (6 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 ENPP1 2351/4885EGFR 4233/4885KDR 4179/4885
US-20070021446-A1 2-arylbenzothiazole analogues and uses thereof NR2E1, NR2E3, NR0B2 ENPP1 3973/4885EGFR 1301/4885KDR 429/4885
US-20110172241-A1 Benzazole analogues and uses thereof CYP3A5, CYP3A7, CYP3A43 ENPP1 2351/4885EGFR 4233/4885KDR 4179/4885
US-20070149523-A1 Thiazole Analogues and Uses Thereof NR3C2, SLC26A4, CLIC4 ENPP1 4213/4885EGFR 186/4885KDR 1073/4885
US-20090270410-A1 BENZAZOLE ANALOGUES AND USES THEREOF CYP3A5, CYP3A7, CYP3A43 ENPP1 2359/4885EGFR 4205/4885KDR 4089/4885
US-20060135782-A1 Benzazole analogues and uses thereof DCK, SBK3, DAPK3 ENPP1 1457/4885EGFR 437/4885KDR 1657/4885

“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.