SCHEMBL4151375

SCHEMBL4151375

Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.59
LMNA P02545 5/20 0.57
ALDH1A1 P00352 3/20 0.57
HTT P42858 3/20 0.57
KDM4E B2RXH2 3/20 0.57
HPGD P15428 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPK1 P28482 3/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PIK3R1 P27986 11/20 0.55
PIK3CA P42336 11/20 0.55
MTOR P42345 10/20 0.55
MAPT P10636 2/20 0.52
MERTK Q12866 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 1/20 0.51
GALR3 O60755 1/20 0.49
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48

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
SCHEMBL4147051 0.91 HIF1A (0.51) LRRK2LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL4139081 0.89 HDAC1 (0.50) LMNASMN1; SMN2MAPK1MAPTGALR3
SCHEMBL4142803 0.89 MAPT (0.49) LRRK2LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL4134801 0.88 MAPT (0.48) LRRK2LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL4449995 0.88 SMN1; SMN2 (0.47) LRRK2LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL4144454 0.88 SMN1; SMN2 (0.47) LRRK2LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL4137724 0.86 NPC1 (0.50) LMNAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL27963367 0.84 SMN1; SMN2 (0.44) LMNAALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL4147650 0.83 SMN1; SMN2 (0.57) LRRK2LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL4151013 0.83 BACE1 (0.52) LMNAALDH1A1HTTKDM4EHPGD

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222263-B2 Inhibitors of hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2012-07-17 US claimed
EP-2134695-A1 INHIBITORS OF THE HEDGEHOG PATHWAY Exelixis, Inc. (US) 2009-12-23 EP claimed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US claimed
WO-2008112913-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2008-09-18 WO claimed
US-20140309184-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF OVARIAN CANCER UNIVERSITY OF SOUTH ALABAMA (US) 2014-10-16 US disclosed
US-20140309184-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF OVARIAN CANCER UNIVERSITY OF SOUTH ALABAMA (US) 2014-10-16 US disclosed
US-8796294-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-08-05 US disclosed
US-8796294-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-08-05 US disclosed
US-8796294-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-08-05 US disclosed
US-8754092-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-06-17 US disclosed
US-8754092-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-06-17 US disclosed
US-8754092-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-06-17 US disclosed
US-20120238570-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-20 US disclosed
US-8222263-B2 Inhibitors of hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2012-07-17 US disclosed
US-8222263-B2 Inhibitors of hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2012-07-17 US disclosed
US-8222263-B2 Inhibitors of hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2012-07-17 US disclosed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US disclosed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US disclosed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US disclosed
WO-2008112913-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2008-09-18 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 (3 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-20120238570-A1 INHIBITORS OF THE HEDGEHOG PATHWAY SHH, GLI1, SMO LRRK2 799/4885LMNA 4340/4885ALDH1A1 1486/4885
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY SHH, GLI1, SMO LRRK2 667/4885LMNA 4446/4885ALDH1A1 1523/4885
US-20140309184-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF OVARIAN CANCER TP53, ANXA5, VHL LRRK2 4596/4885LMNA 1453/4885ALDH1A1 2651/4885

“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.