SCHEMBL2190910

SCHEMBL2190910

Nc1ccc2nc(NC(=O)c3cccnc3)sc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.72
RAB9A P51151 5/20 0.71
NPC1 O15118 4/20 0.71
ALDH1A1 P00352 3/20 0.71
MAPT P10636 3/20 0.71
SMN1; SMN2 Q16637 4/20 0.67
TP53 P04637 2/20 0.66
TSHR P16473 1/20 0.66
MAPK1 P28482 1/20 0.66
HSD17B10 Q99714 1/20 0.66
POLB P06746 1/20 0.62
LMNA P02545 1/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 2/20 0.60
ATM Q13315 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ABL1 P00519 1/20 0.55
HSD17B1 P14061 1/20 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
SCHEMBL22130185 0.86 NPC1 (0.64) SCDRAB9ANPC1ALDH1A1MAPT
SCHEMBL31219264 0.86 NPC1 (0.64) SCDRAB9ANPC1ALDH1A1MAPT
SCHEMBL2190326 0.86 LRRK2 (0.72) SCDRAB9ANPC1ALDH1A1MAPT
SCHEMBL10065620 0.86 LRRK2 (0.76) SCDRAB9ANPC1ALDH1A1MAPT
SCHEMBL29947467 0.86 SCD (0.72) SCDRAB9ANPC1ALDH1A1MAPT
SCHEMBL24729555 0.86 SCD (0.72) SCDRAB9ANPC1ALDH1A1MAPT
SCHEMBL2190685 0.85 NPC1 (0.70) SCDRAB9ANPC1ALDH1A1MAPT
SCHEMBL2190163 0.84 RAB9A (0.76) SCDRAB9ANPC1ALDH1A1MAPT
SCHEMBL4921088 0.84 SCD (1.00) SCDRAB9ANPC1ALDH1A1MAPT
SCHEMBL4912981 0.83 SCD (1.00) SCDRAB9ANPC1ALDH1A1MAPT

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 SCD 4567/4885RAB9A 3254/4885NPC1 2073/4885
US-20110172241-A1 Benzazole analogues and uses thereof CYP3A5, CYP3A7, CYP3A43 SCD 4567/4885RAB9A 3254/4885NPC1 2073/4885
US-20090270410-A1 BENZAZOLE ANALOGUES AND USES THEREOF CYP3A5, CYP3A7, CYP3A43 SCD 4507/4885RAB9A 3001/4885NPC1 1968/4885

“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.