SCHEMBL13044323

SCHEMBL13044323

O=C(Nc1ccccc1)Nc1ccc(Cl)c(-c2nccc3ccccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ CNR1 P21554 2/20 0.47
▸ IMPDH2 P12268 1/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ LMNA P02545 4/20 0.47
▸ HTT P42858 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GAA P10253 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ KDR P35968 3/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ RIPK1 Q13546 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ IGF1R P08069 1/20 0.44

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
SCHEMBL14707505 0.93 SMARCA2 (0.52) MAPTNPC1RAB9ACNR1IMPDH2
SCHEMBL13552995 0.90 MEN1 (0.54) MAPTNPC1RAB9AIMPDH2MEN1
SCHEMBL13552722 0.90 MEN1 (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL13552997 0.89 NPC1 (0.63) NPC1RAB9ACNR1MEN1KMT2A
SCHEMBL14707412 0.88 KDR (0.43) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL13553004 0.87 KDR (0.58) KDRRIPK1
SCHEMBL13553001 0.87 PTPN7 (0.45) MAPTNPC1RAB9ACNR1MEN1
SCHEMBL13552728 0.86 TRPV1 (0.48) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL13552747 0.85 POLB (0.50) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL13043161 0.85 GRM4 (0.61) KDR

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 10 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
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 MAPT 427/4885NPC1 169/4885RAB9A 367/4885
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling SHH, GLI1, SMO MAPT 2831/4885NPC1 1532/4885RAB9A 447/4885
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS SHH, GLI1, SMO MAPT 427/4885NPC1 169/4885RAB9A 367/4885

“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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