SCHEMBL1018085

SCHEMBL1018085

O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.63
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
STAT3 P40763 1/20 0.52
PPARG P37231 1/20 0.51

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
SCHEMBL26033198 0.90 RAF1 (0.60) MAPTSMN1; SMN2LMNAHTTCYP1A2
SCHEMBL12727154 0.89 SMN1; SMN2 (0.53) MTORMAPTSMN1; SMN2LMNAHTT
SCHEMBL13665500 0.89 HDAC2 (0.61) MTOR
SCHEMBL1017660 0.89 RAB9A (0.58) MTORSMN1; SMN2RAB9APPARG
SCHEMBL2611863 0.89 MTOR (0.67) MTORMAPTSMN1; SMN2LMNAHTT
SCHEMBL1072748 0.88 ABL1 (0.51) MTOR
SCHEMBL1070691 0.87 SMO (0.49) MTORMAPTLMNAHTTRAB9A
SCHEMBL1073909 0.86 CHRM1 (0.55) MTORMAPTRAB9A
SCHEMBL1071612 0.86 MTOR (0.47) MTORMAPTLMNARAB9A
SCHEMBL1072868 0.86 HDAC2 (0.58) MTOR

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-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-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 MTOR 429/4885MAPT 3822/4885SMN1; SMN2 4094/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MTOR 429/4885MAPT 3822/4885SMN1; SMN2 4094/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO MTOR 435/4885MAPT 3696/4885SMN1; SMN2 4106/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MTOR 429/4885MAPT 3822/4885SMN1; SMN2 4094/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MTOR 429/4885MAPT 3822/4885SMN1; SMN2 4094/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MTOR 429/4885MAPT 3822/4885SMN1; SMN2 4094/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MTOR 429/4885MAPT 3822/4885SMN1; SMN2 4094/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO MTOR 429/4885MAPT 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.