SCHEMBL4130118

SCHEMBL4130118

CCc1nc(Nc2ccc(C(=O)Nc3cc(CN(C)Cc4ccccc4)ccc3C)cc2)nc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC1 Q13547 4/20 0.44
ABL1 P00519 1/20 0.42
CTNNB1 P35222 3/20 0.39
TCF7L2 Q9NQB0 3/20 0.39
LRRK2 Q5S007 2/20 0.39
ACHE P22303 1/20 0.39
EGFR P00533 1/20 0.39
BRAF P15056 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
RET P07949 1/20 0.39
LTK P29376 1/20 0.39
KDR P35968 1/20 0.39
MAP2K2 P36507 1/20 0.39

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
SCHEMBL4438971 0.93 HDAC1 (0.43) MEN1KMT2AHDAC1ABL1CTNNB1
SCHEMBL4132964 0.91 HDAC1 (0.46) MEN1KMT2AHDAC1ABL1CTNNB1
SCHEMBL4138326 0.88 HDAC1 (0.48) HDAC1ABL1CTNNB1TCF7L2
SCHEMBL4130124 0.87 HDAC1 (0.44) HDAC1ABL1CTNNB1TCF7L2LRRK2
SCHEMBL27781589 0.87 HDAC1 (0.51) MEN1KMT2AHDAC1
SCHEMBL4138442 0.85 HDAC1 (0.49) HDAC1ABL1CTNNB1TCF7L2
SCHEMBL4449009 0.83 ABL1 (0.46) HDAC1ABL1CTNNB1TCF7L2
SCHEMBL4142803 0.81 MAPT (0.49) KMT2AHDAC1ABL1LRRK2AURKA
SCHEMBL4129999 0.81 HDAC1 (0.48) HDAC1ABL1CTNNB1TCF7L2
SCHEMBL4132202 0.81 BACE1 (0.47) HDAC1ABL1CTNNB1TCF7L2

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 26 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
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
CN-101679308-B Inhibitors of the hedgehog pathway EXELIXIS INC 2014-05-07 CN 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 MEN1 208/4885KMT2A 1451/4885HDAC1 95/4885
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY SHH, GLI1, SMO MEN1 377/4885KMT2A 1508/4885HDAC1 119/4885
US-20140309184-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF OVARIAN CANCER TP53, ANXA5, VHL MEN1 1627/4885KMT2A 892/4885HDAC1 3342/4885

“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.