SCHEMBL1014520

SCHEMBL1014520

CC(=O)N1CCN(CCOc2cc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)ccc2CS(C)(=O)=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.53
HTR2C P28335 5/20 0.53
KCNH2 Q12809 1/20 0.51
ALB P02768 1/20 0.46
HTR1A P08908 1/20 0.46
SLC6A2 P23975 1/20 0.46
PDE4A P27815 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PDE4D Q08499 1/20 0.46
SHH Q15465 1/20 0.46
USP28 Q96RU2 1/20 0.46
SLC29A1 Q99808 1/20 0.46
SMO Q99835 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
KDR P35968 1/20 0.41

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
SCHEMBL1017067 0.93 KDR (0.49) HTR2AHTR2CALBHTR1ASLC6A2
SCHEMBL1017227 0.92 HTR2A (0.53) HTR2AHTR2CKCNH2ALBHTR1A
SCHEMBL1018146 0.92 KDR (0.48) HTR2AHTR2CALBHTR1ASLC6A2
SCHEMBL12214766 0.91 HTR2A (0.51) HTR2AHTR2CKCNH2
SCHEMBL1018598 0.91 ALB (0.46) HTR2AHTR2CKCNH2ALBHTR1A
SCHEMBL1017070 0.91 HTR2A (0.52) HTR2AHTR2CKCNH2ALBHTR1A
SCHEMBL1071057 0.89 KDR (0.46) HTR2AHTR2CALBHTR1ASLC6A2
SCHEMBL19810138 0.89 HTR2A (0.49) HTR2AHTR2CKCNH2ALBHTR1A
SCHEMBL1016225 0.87 ALB (0.46) HTR2AHTR2CKCNH2ALBHTR1A
SCHEMBL1016079 0.87 HTR2A (0.54) HTR2AHTR2CALBHTR1ASLC6A2

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 54 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-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-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-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-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-02-01 US disclosed
US-20100003239-A1 ANTI-HEDGEHOG ANTIBODIES GENENTECH, INC. (US) 2010-01-07 US disclosed
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-11-12 US disclosed
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-11-12 US 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
WO-2009126863-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-10-15 WO disclosed
WO-2009086324-A1 ANTI-HEDGEHOG ANTIBODIES GENENTECH, INC. (US) 2009-07-09 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 (9 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 HTR2A 2634/4885HTR2C 2473/4885KCNH2 3359/4885
US-20100003239-A1 ANTI-HEDGEHOG ANTIBODIES SHH, SMO, GLI1 HTR2A 4054/4885HTR2C 4239/4885KCNH2 3896/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HTR2A 2634/4885HTR2C 2473/4885KCNH2 3359/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO HTR2A 2673/4885HTR2C 2531/4885KCNH2 3355/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HTR2A 2634/4885HTR2C 2473/4885KCNH2 3359/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HTR2A 2634/4885HTR2C 2473/4885KCNH2 3359/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HTR2A 2634/4885HTR2C 2473/4885KCNH2 3359/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HTR2A 2634/4885HTR2C 2473/4885KCNH2 3359/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO HTR2A 2634/4885HTR2C 2473/4885KCNH2 3359/4885

“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.