SCHEMBL4133826

SCHEMBL4133826

O=C(O)c1ccc(Nc2nc(C3CCCCC3)c3ccccc3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 4/20 0.67
NPY5R Q15761 1/20 0.56
PIN1 Q13526 1/20 0.54
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RORC P51449 2/20 0.51
CHRNA7 P36544 1/20 0.48
LCK P06239 1/20 0.48
JAK3 P52333 1/20 0.48
ABCC1 P33527 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
LRRK2 Q5S007 1/20 0.47
PDE5A O76074 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
SCHEMBL10330633 0.86 MERTK (0.56) MERTKPIN1ATMABCC1ABCG2
SCHEMBL27963315 0.83 NPY5R (0.49) MERTKNPY5RTDP1L3MBTL1CHRNA7
SCHEMBL4132697 0.83 MERTK (0.48) MERTKNPY5RTDP1L3MBTL1
SCHEMBL4129833 0.77 MERTK (0.46) MERTKTDP1MAPT
SCHEMBL27963379 0.77 MERTK (0.46) MERTKNPY5RPIN1TDP1MAPT
SCHEMBL30013876 0.75 TDP1 (0.60) MERTKNPY5RATMTDP1L3MBTL1
SCHEMBL4133067 0.75 MAPT (0.73) MERTKPIN1ATMRORCABCC1
SCHEMBL27963338 0.73 HTR1A (0.46) MERTKNPY5RLCKMAPT
SCHEMBL4137970 0.73 SOS2 (0.43) MERTKMAPT
SCHEMBL4569980 0.73 RHOA (0.72) PIN1ATMMAPTTHRBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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
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 MERTK 2691/4885NPY5R 4057/4885PIN1 879/4885
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY SHH, GLI1, SMO MERTK 2650/4885NPY5R 4078/4885PIN1 1031/4885
US-20120245139-A1 INHIBITORS OF THE HEDGEHOG PATHWAY SHH, GLI1, SMO MERTK 2691/4885NPY5R 4057/4885PIN1 879/4885

“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.