Sugi Predict

Sugi Predict / Compounds / SCHEMBL1018023

SCHEMBL1018023

SCHEMBL1018023

CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)C(=O)C1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.49
▸ ALB P02768 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ PDE4A P27815 1/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ SHH Q15465 1/20 0.49
▸ USP28 Q96RU2 1/20 0.49
▸ SLC29A1 Q99808 1/20 0.49
▸ SMO Q99835 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ MTOR P42345 1/20 0.46
▸ ATM Q13315 1/20 0.45

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
SCHEMBL26035179 0.90 HPGDS (0.50) HPGDS
SCHEMBL17790981 0.90 SMO (0.47) HPGDSALBHTR1ASLC6A2PDE4A
SCHEMBL12727180 0.89 HPGDS (0.49) HPGDS
SCHEMBL1018022 0.86 ALB (0.47) ALBHTR1ASLC6A2PDE4AOPRM1
SCHEMBL1018975 0.85 HPGDS (0.44) HPGDSALBHTR1ASLC6A2PDE4A
SCHEMBL1017599 0.84 HPGDS (0.49) HPGDSALBHTR1ASLC6A2PDE4A
SCHEMBL1018093 0.82 MTOR (0.51) HPGDSALBHTR1ASLC6A2PDE4A
SCHEMBL12918692 0.82 ALB (0.50) ALBHTR1ASLC6A2PDE4AOPRM1
SCHEMBL1017567 0.81 BTK (0.58) —
SCHEMBL1019134 0.81 ALB (0.51) ALBHTR1ASLC6A2PDE4AOPRM1

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 61 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-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-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
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
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 (8 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 HPGDS 1126/4885ALB 4881/4885HTR1A 1322/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HPGDS 1126/4885ALB 4881/4885HTR1A 1322/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO HPGDS 1188/4885ALB 4881/4885HTR1A 1356/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HPGDS 1126/4885ALB 4881/4885HTR1A 1322/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HPGDS 1126/4885ALB 4881/4885HTR1A 1322/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HPGDS 1126/4885ALB 4881/4885HTR1A 1322/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HPGDS 1126/4885ALB 4881/4885HTR1A 1322/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO HPGDS 1126/4885ALB 4881/4885HTR1A 1322/4885

“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.