SCHEMBL4137789

SCHEMBL4137789

Cc1ccc(NC(=O)CN2CCOCC2)cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 7/20 0.54
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.46
JAK3 P52333 1/20 0.46
LRRK2 Q5S007 1/20 0.44

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
SCHEMBL4154793 0.92 WNT3A (0.45) WNT3AGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL4139081 0.88 HDAC1 (0.50) SMN1; SMN2MAPTMAPK1
SCHEMBL4132707 0.86 HPGDS (0.57)
SCHEMBL4144396 0.85 NAMPT (0.49) WNT3ALRRK2
SCHEMBL4141973 0.85 ABL1 (0.48) SMN1; SMN2ALDH1A1
SCHEMBL4138350 0.85 HPGDS (0.52) SMN1; SMN2ALDH1A1MAPTKDM4ETSHR
SCHEMBL4146218 0.84 ABL1 (0.49) ALDH1A1MAPTJAK3
SCHEMBL4137672 0.84 LRRK2 (0.45) WNT3ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL4147650 0.84 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1MAPTMAPK1LRRK2
SCHEMBL4137724 0.84 NPC1 (0.50) SMN1; SMN2ALDH1A1MAPTKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US 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
EP-2527330-A1 Inhibitors of the hedgehog pathway Exelixis, Inc. (US) 2012-11-28 EP disclosed
US-20120238570-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-20 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
EP-2134695-A1 INHIBITORS OF THE HEDGEHOG PATHWAY Exelixis, Inc. (US) 2009-12-23 EP 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 WNT3A 51/4885GAA 3191/4885SMN1; SMN2 3770/4885
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY SHH, GLI1, SMO WNT3A 39/4885GAA 3393/4885SMN1; SMN2 3775/4885
US-20140309184-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF OVARIAN CANCER TP53, ANXA5, VHL WNT3A 2223/4885GAA 2607/4885SMN1; SMN2 407/4885

“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.