SCHEMBL13552812

SCHEMBL13552812

O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ LMNA P02545 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ RAB9A P51151 1/20 0.52
▸ CYP1A2 P05177 2/20 0.49
▸ KCNQ3 O43525 1/20 0.49
▸ KCNQ2 O43526 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ STAT3 P40763 1/20 0.48
▸ PPARG P37231 1/20 0.47
▸ RAF1 P04049 2/20 0.47
▸ BRAF P15056 2/20 0.47
▸ DGAT1 O75907 1/20 0.47
▸ MTOR P42345 3/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ AURKA O14965 1/20 0.45
▸ RPS6KB1 P23443 1/20 0.45

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
SCHEMBL13552809 0.92 TRPV1 (0.48) MAPTSMN1; SMN2LMNAHTTRAB9A
SCHEMBL13554827 0.90 MAPT (0.49) MAPTSMN1; SMN2LMNAHTTRAB9A
SCHEMBL13552803 0.90 KCNH2 (0.47) MAPTSMN1; SMN2LMNAHTTRAB9A
SCHEMBL13552801 0.90 RAB9A (0.54) MAPTSMN1; SMN2RAB9APPARGBRAF
SCHEMBL13552792 0.89 MALT1 (0.44) MAPTSMN1; SMN2LMNAHTTRAB9A
SCHEMBL13552786 0.88 SMO (0.47) MAPTLMNAHTTRAB9AMEN1
SCHEMBL13552807 0.87 MAPK8 (0.45) MAPTSMN1; SMN2LMNAHTTRAB9A
SCHEMBL13552823 0.87 KMT2A (0.49) MAPTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL13044296 0.86 RAB9A (0.49) MAPTSMN1; SMN2LMNAHTTRAB9A
SCHEMBL13043660 0.85 RAB9A (0.49) MAPTRAB9ACYP1A2PPARGRAF1

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 7 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

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 427/4885SMN1; SMN2 1621/4885LMNA 3609/4885
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling SHH, GLI1, SMO MAPT 2831/4885SMN1; SMN2 4323/4885LMNA 4456/4885
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS SHH, GLI1, SMO MAPT 427/4885SMN1; SMN2 1621/4885LMNA 3609/4885

“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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