SCHEMBL1017315

SCHEMBL1017315

COC(=O)c1ccc(SCc2ccccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.60
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 3/20 0.52
RGS12 O14924 1/20 0.52
HPGD P15428 1/20 0.52
POLB P06746 2/20 0.50
KDM4E B2RXH2 2/20 0.50
PKM P14618 2/20 0.50
RAB9A P51151 3/20 0.48
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.48
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
DAO P14920 1/20 0.46
NPC1 O15118 1/20 0.46
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL16375088 0.86 ALDH1A1 (0.58) METAP2ALDH1A1KMT2AMAPTRGS12
Hydrochloric Acid SCHEMBL16346199 0.85 ALDH1A1 (0.56) METAP2ALDH1A1KMT2AMAPTRGS12
SCHEMBL4321171 0.82 POLB (0.56) ALDH1A1KMT2AMAPTHPGDPOLB
SCHEMBL7834117 0.78 PKM (0.60) METAP2ALDH1A1KMT2AMAPTRGS12
SCHEMBL7143732 0.78 L3MBTL1 (0.46) METAP2ALDH1A1KMT2AMAPTPOLB
SCHEMBL509956 0.77 PKM (0.59) METAP2ALDH1A1KMT2AMAPTRGS12
SCHEMBL1732629 0.77 PARP10 (0.69) ALDH1A1KMT2AMAPTHPGDPOLB
SCHEMBL30320388 0.77 PARP10 (0.69) ALDH1A1KMT2AMAPTHPGDPOLB
SCHEMBL5384836 0.77 METAP2 (0.70) METAP2ALDH1A1KMT2AMAPTRGS12
SCHEMBL9656225 0.76 DAO (0.55) ALDH1A1KMT2AMAPTKDM4ERAB9A

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 23 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-9321761-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2016-04-26 US disclosed
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GUNZNER JANET L (US) 2012-04-19 US disclosed
EP-1789390-B1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH INC (US) 2011-11-09 EP 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
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 (12 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 METAP2 4214/4885ALDH1A1 2407/4885KMT2A 1528/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO METAP2 4214/4885ALDH1A1 2407/4885KMT2A 1528/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO METAP2 4214/4885ALDH1A1 2407/4885KMT2A 1528/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO METAP2 4199/4885ALDH1A1 2371/4885KMT2A 1487/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO METAP2 4214/4885ALDH1A1 2407/4885KMT2A 1528/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO METAP2 4214/4885ALDH1A1 2407/4885KMT2A 1528/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO METAP2 4214/4885ALDH1A1 2407/4885KMT2A 1528/4885
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO METAP2 4214/4885ALDH1A1 2407/4885KMT2A 1528/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO METAP2 4214/4885ALDH1A1 2407/4885KMT2A 1528/4885
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO METAP2 4214/4885ALDH1A1 2407/4885KMT2A 1528/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO METAP2 4214/4885ALDH1A1 2407/4885KMT2A 1528/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO METAP2 4214/4885ALDH1A1 2407/4885KMT2A 1528/4885

“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.