SCHEMBL4137815

SCHEMBL4137815

Cc1cccc(C)c1NC(=O)c1ccc(Nc2nc(-c3cccc(CN4CCN(C)CC4)c3)c3ccccc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.47
ABL1 P00519 4/20 0.47
BCR P11274 4/20 0.47
PDGFRA P16234 4/20 0.47
PDGFRB P09619 3/20 0.47
SRC P12931 3/20 0.47
KIT P10721 3/20 0.47
SYK P43405 2/20 0.47
EGFR P00533 2/20 0.47
ERBB2 P04626 2/20 0.47
LCK P06239 2/20 0.47
FYN P06241 2/20 0.47
CSF1R P07333 2/20 0.47
LYN P07948 2/20 0.47
FGR P09769 2/20 0.47
BRAF P15056 2/20 0.47
NQO2 P16083 2/20 0.47
EPHA8 P29322 2/20 0.47
ABL2 P42684 2/20 0.47
FRK P42685 2/20 0.47

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
SCHEMBL4141833 0.92 HTT (0.49) AXLABL1BCRPDGFRAPDGFRB
SCHEMBL4138505 0.92 MOK (0.46) ABL1BCRLCKKDR
SCHEMBL27963311 0.91 KDM4E (0.50) AXLABL1BCRPDGFRAPDGFRB
SCHEMBL4147620 0.87 ABL1 (0.54) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL4138794 0.85 CDK7 (0.45)
SCHEMBL4137644 0.83 HIF1A (0.52) LMNAHDAC1
SCHEMBL4142299 0.83 MAPT (0.55) LMNA
SCHEMBL27963336 0.83 KDM4E (0.52) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL4142530 0.81 MAPK14 (0.52) SRCEGFRLCKKDRMAPK14
SCHEMBL4144678 0.80 HTR2C (0.48) ABL1BCRPDGFRAPDGFRBSRC

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-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
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 AXL 2799/4885ABL1 1358/4885BCR 1739/4885
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY SHH, GLI1, SMO AXL 2590/4885ABL1 1257/4885BCR 1622/4885
US-20140309184-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF OVARIAN CANCER TP53, ANXA5, VHL AXL 1320/4885ABL1 286/4885BCR 1510/4885

“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.