SCHEMBL2192069

SCHEMBL2192069

COc1ccc(C)cc1NC(=O)Nc1nc2ccc(Nc3cc(NCCCO)ncn3)cc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
NPC1 O15118 5/20 0.48
NTRK1 P04629 1/20 0.47
ABL1 P00519 3/20 0.47
CSNK1D P48730 1/20 0.43
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 3/20 0.42
TP53 P04637 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 2/20 0.42
LCK P06239 1/20 0.42
POLB P06746 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL2187713 0.95 NTRK1 (0.48) RAB9AMEN1KMT2ANPC1NTRK1
SCHEMBL2190947 0.86 NTRK1 (0.54) RAB9AMEN1KMT2ANPC1NTRK1
SCHEMBL1505089 0.79 KDR (0.56) EGFR
SCHEMBL1504837 0.78 NTRK1 (0.53) RAB9AMEN1KMT2ANPC1NTRK1
SCHEMBL25002181 0.77 RAB9A (0.77) RAB9AMEN1KMT2ANPC1CSNK1D
SCHEMBL3945407 0.74 KDR (0.54) NTRK1EGFR
SCHEMBL1504863 0.73 KDR (0.58) EGFR
4Sc-203 SCHEMBL1505017 0.73 EGFR (0.64) EGFR
4Sc-203 SCHEMBL29370845 0.73 EGFR (0.64) EGFR
SCHEMBL4918093 0.71 RAB9A (0.83) RAB9AMEN1KMT2ANPC1CSNK1D

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-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

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 RAB9A 3254/4885MEN1 2616/4885KMT2A 3416/4885
US-20110172241-A1 Benzazole analogues and uses thereof CYP3A5, CYP3A7, CYP3A43 RAB9A 3254/4885MEN1 2616/4885KMT2A 3416/4885
US-20090270410-A1 BENZAZOLE ANALOGUES AND USES THEREOF CYP3A5, CYP3A7, CYP3A43 RAB9A 3001/4885MEN1 2688/4885KMT2A 3465/4885

“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.