SCHEMBL13044300

SCHEMBL13044300

Cn1cc(NC(=S)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FSCN1 Q16658 3/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KDR P35968 4/20 0.37
▸ CDK19 Q9BWU1 1/20 0.36
▸ ALK Q9UM73 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.36

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
SCHEMBL13554653 0.88 GAA (0.35) FSCN1MEN1MAPTKMT2ARAB9A
SCHEMBL13044297 0.88 JAK2 (0.43) MEN1MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL14707412 0.84 KDR (0.43) MEN1MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL14707420 0.83 KMT2A (0.51) MEN1MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL13552954 0.82 GAA (0.47) MEN1MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL13552972 0.82 ALDH1A1 (0.54) MEN1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL13552952 0.81 KMT2A (0.45) MEN1MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL13552957 0.81 MEN1 (0.47) MEN1MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL13552736 0.81 ALDH1A1 (0.49) MEN1MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL13552955 0.81 MAPT (0.42) MEN1MAPTKMT2ARAB9ASMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345699-B2 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling NANTBIOSCIENCE, INC. (US) 2016-05-24 — — US disclosed
US-9345699-B2 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling NANTBIOSCIENCE, INC. (US) 2016-05-24 — — US disclosed
EP-2440048-B1 ISOQUINOLINE, QUINOLINE, AND QUINAZOLINE DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING CALIFORNIA CAPITAL EQUITY LLC (US) 2015-10-07 — — EP disclosed
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2014-03-13 — — US disclosed
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2014-03-13 — — US disclosed
US-20130045240-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2013-02-21 — — US disclosed
US-20130045240-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2013-02-21 — — US disclosed
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-10-25 — — US disclosed
WO-2010144586-A1 ISOQUINOLINE, QUINOLINE, AND QUINAZOLINE DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING ABRAXIS BIOSCIENCE, LLC (US) 2010-12-16 — — 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-20130045240-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS SHH, GLI1, SMO FSCN1 89/4885MEN1 1016/4885MAPT 427/4885
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling SHH, GLI1, SMO FSCN1 3105/4885MEN1 1456/4885MAPT 2831/4885
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS SHH, GLI1, SMO FSCN1 89/4885MEN1 1016/4885MAPT 427/4885

“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.

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