SCHEMBL2190685

SCHEMBL2190685

Nc1ccc2nc(NC(=O)c3ccncc3)sc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.70
RAB9A P51151 7/20 0.70
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
MCL1 Q07820 1/20 0.70
SMN1; SMN2 Q16637 5/20 0.69
ALDH1A1 P00352 3/20 0.69
KDM4E B2RXH2 2/20 0.69
ATM Q13315 1/20 0.69
RXFP1 Q9HBX9 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
SCD O00767 3/20 0.63
MAPT P10636 2/20 0.61
USP2 O75604 1/20 0.58
GAA P10253 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
GFER P55789 1/20 0.57
LRRK2 Q5S007 2/20 0.56
HSD17B1 P14061 2/20 0.55

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
SCHEMBL2190326 0.88 LRRK2 (0.72) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL16562169 0.87 NPC1 (0.73) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7127611 0.86 NPC1 (0.71) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL21568214 0.86 NPC1 (0.71) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL22130185 0.86 NPC1 (0.64) NPC1RAB9AMEN1KMT2AMCL1
SCHEMBL31219264 0.86 NPC1 (0.64) NPC1RAB9AMEN1KMT2AMCL1
SCHEMBL2190910 0.85 SCD (0.72) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL24729344 0.84 NPC1 (0.67) NPC1RAB9AMEN1KMT2AMCL1
SCHEMBL4912185 0.84 SCD (0.73) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL22130146 0.83 SCD (0.87) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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 8 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
CN-101090899-A 2,5 and 2,6 disubstituted benzazole analogs useful as protein kinase inhibitors 4SC AG (DE) 2007-12-19 CN 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 2073/4885RAB9A 3254/4885MEN1 2616/4885
US-20110172241-A1 Benzazole analogues and uses thereof CYP3A5, CYP3A7, CYP3A43 NPC1 2073/4885RAB9A 3254/4885MEN1 2616/4885
US-20090270410-A1 BENZAZOLE ANALOGUES AND USES THEREOF CYP3A5, CYP3A7, CYP3A43 NPC1 1968/4885RAB9A 3001/4885MEN1 2688/4885

“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.