SCHEMBL1017669

SCHEMBL1017669

c1ccc(CNc2nc(-c3ccccn3)cs2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
MAPT P10636 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
NR1I2 O75469 1/20 0.62
NFKB1 P19838 1/20 0.62
PPP1CA P62136 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
NPY5R Q15761 7/20 0.59
MECP2 P51608 1/20 0.58
KCNN1 Q92952 1/20 0.58
KCNN2 Q9H2S1 1/20 0.58
MBD2 Q9UBB5 1/20 0.58
KCNN3 Q9UGI6 1/20 0.58

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
SCHEMBL23222310 0.88 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL19782991 0.87 MAPT (0.60) ALDH1A1MAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL3915911 0.86 MAPT (0.88) ALDH1A1MAPTSMN1; SMN2L3MBTL1NPC1
Bromide SCHEMBL6930883 0.85 MAPT (0.86) ALDH1A1MAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL1820346 0.81 ALDH1A1 (0.76) ALDH1A1MAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL24257646 0.79 NPY5R (0.64) ALDH1A1MAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL7678939 0.79 MAPT (0.81) ALDH1A1MAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL24257425 0.78 MAPT (0.62) ALDH1A1MAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL24257655 0.78 MAPT (0.57) ALDH1A1MAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL24257641 0.78 MAPT (0.62) ALDH1A1MAPTSMN1; SMN2L3MBTL1NPC1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 US disclosed
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2020-06-18 US disclosed
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-09-13 US disclosed
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-02-01 US disclosed
US-9790183-B2 Pyridyl inhibitors of hedgehog signalling GENENTECH, INC. (US) 2017-10-17 US disclosed
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2017-01-19 US disclosed
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2016-06-02 US disclosed
US-9320722-B2 Regulators of aldehyde dehydrogenase ALDH3A1 and related therapeutic methods INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-04-26 US disclosed
CN-102083822-A Pyridyl inhibitors of HEDGEHOG signalling GENENTECH INC 2011-06-01 CN disclosed
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING CURIS ROYALTY LLC 2011-04-21 US disclosed
US-7888364-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2011-02-15 US disclosed
EP-2271642-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2011-01-12 EP disclosed
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-11-12 US disclosed
WO-2009126863-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-10-15 WO disclosed
CN-101072755-A Pyridyl inhibitors of Hedgehog signaling GENENTECH INC (US) 2007-11-14 CN disclosed
EP-1789390-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2007-05-30 EP disclosed
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling CURIS ROYALTY LLC 2006-03-23 US disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 WO 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 (11 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-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO ALDH1A1 2407/4885MAPT 3822/4885SMN1; SMN2 4094/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO ALDH1A1 2407/4885MAPT 3822/4885SMN1; SMN2 4094/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO ALDH1A1 2407/4885MAPT 3822/4885SMN1; SMN2 4094/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO ALDH1A1 2371/4885MAPT 3696/4885SMN1; SMN2 4106/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO ALDH1A1 2407/4885MAPT 3822/4885SMN1; SMN2 4094/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO ALDH1A1 2407/4885MAPT 3822/4885SMN1; SMN2 4094/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO ALDH1A1 2407/4885MAPT 3822/4885SMN1; SMN2 4094/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO ALDH1A1 2407/4885MAPT 3822/4885SMN1; SMN2 4094/4885
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO ALDH1A1 2407/4885MAPT 3822/4885SMN1; SMN2 4094/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO ALDH1A1 2407/4885MAPT 3822/4885SMN1; SMN2 4094/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO ALDH1A1 2407/4885MAPT 3822/4885SMN1; SMN2 4094/4885

“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.