SCHEMBL4144683

SCHEMBL4144683

COCCNCc1ccc(C)c(NC(=O)c2ccc(Nc3nc(-c4ccccc4)c4ccccc4n3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
BRAF P15056 3/20 0.45
BACE1 P56817 1/20 0.44
THRB P10828 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CTNNB1 P35222 1/20 0.42
TCF7L2 Q9NQB0 1/20 0.42
HDAC1 Q13547 2/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
SMO Q99835 1/20 0.40
HDAC3 O15379 1/20 0.40
ABL1 P00519 1/20 0.40
PDGFRB P09619 1/20 0.40

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
SCHEMBL4133569 0.92 BACE1 (0.45) MAPTLMNAMAPK1KDM4EGAA
SCHEMBL4144192 0.92 BACE1 (0.45) MAPTLMNAMAPK1BACE1THRB
SCHEMBL4142400 0.91 CTNNB1 (0.47) MAPTLMNAMAPK1BACE1THRB
SCHEMBL4141957 0.90 BACE1 (0.46) MAPTLMNAMAPK1BACE1THRB
SCHEMBL4138339 0.89 BACE1 (0.46) MAPTLMNAMAPK1KDM4EBACE1
Bms-833923 SCHEMBL4138073 0.88 BACE1 (0.49) MAPTLMNAMAPK1BACE1THRB
Bms-833923 SCHEMBL29493087 0.88 BACE1 (0.49) MAPTLMNAMAPK1BACE1THRB
SCHEMBL4137868 0.88 BACE1 (0.45) MAPTLMNAMAPK1KDM4EGAA
SCHEMBL4150516 0.88 HDAC1 (0.49) MAPTLMNAMAPK1BACE1THRB
SCHEMBL4135909 0.86 BACE1 (0.49) MAPTLMNAMAPK1KDM4EBACE1

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 20 patents. 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
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-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
EP-2527330-A1 Inhibitors of the hedgehog pathway Exelixis, Inc. (US) 2012-11-28 EP disclosed
EP-2527330-A1 Inhibitors of the hedgehog pathway Exelixis, Inc. (US) 2012-11-28 EP disclosed
US-20120245139-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-27 US disclosed
US-20120245139-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-27 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 (4 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 MAPT 3255/4885LMNA 4340/4885MAPK1 153/4885
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY SHH, GLI1, SMO MAPT 3269/4885LMNA 4446/4885MAPK1 145/4885
US-20140309184-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF OVARIAN CANCER TP53, ANXA5, VHL MAPT 4180/4885LMNA 1453/4885MAPK1 4769/4885
US-20120245139-A1 INHIBITORS OF THE HEDGEHOG PATHWAY SHH, GLI1, SMO MAPT 3255/4885LMNA 4340/4885MAPK1 153/4885

“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.