SCHEMBL1017511

SCHEMBL1017511

COC(=O)c1ccnc(-c2cc(N)ccc2Cl)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ABL1 P00519 1/20 0.40
GLA P06280 1/20 0.40
NQO2 P16083 4/20 0.38
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
ATR Q13535 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
MAPT P10636 2/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
MAOA P21397 1/20 0.35
HTR2C P28335 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL1017510 0.75 GAA (0.43) GAAALDH1A1KDM4EABL1GLA
SCHEMBL1019129 0.74 KDM4C (0.56) GAAALDH1A1KDM4EGLAKDM4C
SCHEMBL57389 0.73 GAA (0.61) GAAALDH1A1KDM4EABL1GLA
SCHEMBL145288 0.73 GAA (0.66) GAAALDH1A1KDM4EABL1GLA
Hydrochloric Acid SCHEMBL5389504 0.72 GAA (0.59) GAAALDH1A1KDM4EABL1GLA
SCHEMBL30950090 0.72 ATR (0.55) GAAALDH1A1KDM4EABL1GLA
SCHEMBL3553958 0.72 KDM4E (0.53) GAAALDH1A1KDM4EABL1GLA
Hydrochloric Acid SCHEMBL3865922 0.72 GAA (0.64) GAAALDH1A1KDM4EABL1GLA
SCHEMBL3546923 0.72 ATR (0.55) GAAALDH1A1KDM4EABL1GLA
SCHEMBL1019219 0.69 MAPK1 (0.47) GAAALDH1A1KDM4EGLAKDM4C

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 17 patents. 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-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-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
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 (10 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 GAA 4713/4885ALDH1A1 2407/4885KDM4E 411/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885ALDH1A1 2407/4885KDM4E 411/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885ALDH1A1 2407/4885KDM4E 411/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4693/4885ALDH1A1 2371/4885KDM4E 382/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885ALDH1A1 2407/4885KDM4E 411/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885ALDH1A1 2407/4885KDM4E 411/4885
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885ALDH1A1 2407/4885KDM4E 411/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885ALDH1A1 2407/4885KDM4E 411/4885
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885ALDH1A1 2407/4885KDM4E 411/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO GAA 4713/4885ALDH1A1 2407/4885KDM4E 411/4885

“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.