SCHEMBL4137644

SCHEMBL4137644

Cc1cccc(C)c1NC(=O)c1ccc(Nc2nc(-c3ccc(CN4CCOCC4)cc3)c3ccccc3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.52
EPAS1 Q99814 1/20 0.52
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 1/20 0.47
TSHR P16473 1/20 0.47
STAT3 P40763 1/20 0.47
ACP1 P24666 1/20 0.46

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
SCHEMBL4138505 0.92 MOK (0.46) HIF1AEPAS1RAB9ANPC1KMT2A
SCHEMBL4141833 0.91 HTT (0.49) LMNAHTTHDAC1
SCHEMBL4139081 0.87 HDAC1 (0.50) HIF1AEPAS1RAB9ASMN1; SMN2NPC1
SCHEMBL4147650 0.87 SMN1; SMN2 (0.57) HIF1AEPAS1RAB9ASMN1; SMN2NPC1
SCHEMBL4137724 0.85 NPC1 (0.50) HIF1AEPAS1RAB9ASMN1; SMN2NPC1
SCHEMBL4134697 0.85 HIF1A (0.54) HIF1AEPAS1RAB9ASMN1; SMN2NPC1
SCHEMBL4142299 0.84 MAPT (0.55) MAPTMAPK1LMNA
SCHEMBL4137815 0.83 AXL (0.47) LMNAHDAC1
SCHEMBL4139048 0.82 MOK (0.47)
SCHEMBL4147089 0.82

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 23 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-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 HIF1A 242/4885EPAS1 1139/4885JAK2 444/4885
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY SHH, GLI1, SMO HIF1A 244/4885EPAS1 1002/4885JAK2 387/4885
US-20140309184-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF OVARIAN CANCER TP53, ANXA5, VHL HIF1A 701/4885EPAS1 1731/4885JAK2 828/4885

“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.