SCHEMBL4134801

SCHEMBL4134801

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 2/20 0.48
GALR3 O60755 1/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 2/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 3/20 0.48
EPAS1 Q99814 3/20 0.48
TSHR P16473 1/20 0.46
TNIK Q9UKE5 1/20 0.46
HDAC1 Q13547 1/20 0.46
CDK2 P24941 2/20 0.45
FLT3 P36888 1/20 0.45
CCNA1 P78396 1/20 0.45
MOK Q9UQ07 1/20 0.45
ALDH1A1 P00352 1/20 0.44
AURKA O14965 1/20 0.44
CDK1 P06493 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
SCHEMBL4147051 0.91 HIF1A (0.51) MAPTSMN1; SMN2LMNAMAPK1GALR3
SCHEMBL4151375 0.88 LRRK2 (0.59) MAPTSMN1; SMN2LMNAMAPK1GALR3
SCHEMBL4142803 0.88 MAPT (0.49) MAPTSMN1; SMN2LMNAMAPK1GALR3
SCHEMBL4139081 0.88 HDAC1 (0.50) MAPTSMN1; SMN2LMNAMAPK1GALR3
SCHEMBL4144454 0.87 SMN1; SMN2 (0.47) MAPTSMN1; SMN2LMNAMAPK1GALR3
SCHEMBL4449995 0.87 SMN1; SMN2 (0.47) MAPTSMN1; SMN2LMNAMAPK1GALR3
SCHEMBL4137724 0.85 NPC1 (0.50) MAPTSMN1; SMN2LMNAMAPK1GALR3
SCHEMBL27963367 0.83 SMN1; SMN2 (0.44) MAPTSMN1; SMN2LMNAMAPK1GALR3
SCHEMBL4134707 0.83 LRRK2 (0.42) MAPTHDAC1LRRK2
SCHEMBL4147650 0.82 SMN1; SMN2 (0.57) MAPTSMN1; SMN2LMNAMAPK1GALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679308-A inhibitors of the hedgehog pathway EXELIXIS INC 2010-03-24 CN 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-8222263-B2 Inhibitors of hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2012-07-17 US disclosed
CN-101679308-A inhibitors of the hedgehog pathway EXELIXIS INC 2010-03-24 CN 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
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 (2 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-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY SHH, GLI1, SMO MAPT 3269/4885SMN1; SMN2 3775/4885LMNA 4446/4885
US-20140309184-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF OVARIAN CANCER TP53, ANXA5, VHL MAPT 4180/4885SMN1; SMN2 407/4885LMNA 1453/4885

“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.