SCHEMBL13553004

SCHEMBL13553004

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

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.58
▸ RIPK1 Q13546 1/20 0.58
▸ TRPV1 Q8NER1 12/20 0.55
▸ GRM4 Q14833 1/20 0.55
▸ AURKB Q96GD4 1/20 0.52
▸ BRAF P15056 1/20 0.52

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
SCHEMBL13044323 0.87 MAPT (0.48) KDRRIPK1
SCHEMBL14707505 0.85 SMARCA2 (0.52) TRPV1
SCHEMBL13552856 0.84 GRM4 (0.51) RIPK1TRPV1GRM4
SCHEMBL13552722 0.84 MEN1 (0.56) KDRTRPV1
SCHEMBL13552997 0.83 NPC1 (0.63) KDRGRM4AURKB
SCHEMBL13552995 0.82 MEN1 (0.54) KDRTRPV1
SCHEMBL13553001 0.81 PTPN7 (0.45) RIPK1TRPV1
SCHEMBL13552728 0.80 TRPV1 (0.48) KDRRIPK1TRPV1GRM4
SCHEMBL13552747 0.80 POLB (0.50) TRPV1GRM4
SCHEMBL13043161 0.79 GRM4 (0.61) KDRGRM4

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 8 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
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

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 KDR 1260/4885RIPK1 1701/4885TRPV1 3668/4885
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling SHH, GLI1, SMO KDR 191/4885RIPK1 445/4885TRPV1 3560/4885
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS SHH, GLI1, SMO KDR 1260/4885RIPK1 1701/4885TRPV1 3668/4885

“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.

Send feedback