SCHEMBL14707412

SCHEMBL14707412

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.43
▸ KDM4D Q6B0I6 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TAS2R38 P59533 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL13552957 0.92 MEN1 (0.47) RAB9AALDH1A1NPC1HTTMAPT
SCHEMBL13552952 0.92 KMT2A (0.45) KDRRAB9AALDH1A1MAPTMEN1
SCHEMBL14707420 0.92 KMT2A (0.51) RAB9AALDH1A1NPC1MAPTMEN1
SCHEMBL13552954 0.90 GAA (0.47) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL13552972 0.90 ALDH1A1 (0.54) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL13552736 0.90 ALDH1A1 (0.49) RAB9AALDH1A1NPC1MAPTMEN1
SCHEMBL13552955 0.89 MAPT (0.42) RAB9AALDH1A1NPC1HTTMAPT
SCHEMBL14707414 0.89 MAPT (0.39) KDRRAB9AALDH1A1MAPTMEN1
SCHEMBL13552953 0.89 KMT2A (0.49) KDRRAB9AALDH1A1NPC1HTT
SCHEMBL13552973 0.89 RAB9A (0.51) RAB9AALDH1A1NPC1MAPTMEN1

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 6 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KDR 1260/4885KDM4D 4375/4885RAB9A 367/4885
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS SHH, GLI1, SMO KDR 1260/4885KDM4D 4375/4885RAB9A 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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