SCHEMBL13044270

SCHEMBL13044270

O=C(Nc1cccnc1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 11/20 0.59
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CYP11B2 P19099 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ BRAF P15056 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL13044271 0.90 KMT2A (0.51) CSF1RNPC1RAB9AMEN1KMT2A
SCHEMBL13552668 0.87 USP28 (0.47) CSF1RNPC1RAB9AMEN1KMT2A
SCHEMBL13552857 0.87 NPC1 (0.61) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13552712 0.87 CSF1R (0.47) CSF1RNPC1RAB9ACYP11B2MEN1
SCHEMBL13044263 0.86 MEN1 (0.48) NPC1RAB9AMEN1KMT2A
SCHEMBL13552709 0.86 USP28 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13552995 0.86 MEN1 (0.54) NPC1RAB9AMEN1KMT2A
SCHEMBL13552661 0.85 NAMPT (0.43) CSF1RNPC1RAB9AMEN1KMT2A
SCHEMBL13044260 0.85 PTGES (0.42) CSF1RNPC1RAB9AMEN1KMT2A
SCHEMBL13044261 0.85 USP28 (0.45) NPC1RAB9AMEN1KMT2ASMN1; 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 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 CSF1R 580/4885NPC1 169/4885RAB9A 367/4885
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling SHH, GLI1, SMO CSF1R 402/4885NPC1 1532/4885RAB9A 447/4885
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS SHH, GLI1, SMO CSF1R 580/4885NPC1 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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