SCHEMBL14707447

SCHEMBL14707447

S=C(Nc1ccc(CN2CCNCC2)cc1)Nc1ccc(Cl)c(-c2nccc3ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CDK2 P24941 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ABL1 P00519 2/20 0.37
▸ KIT P10721 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37

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
SCHEMBL13552961 0.91 KMT2A (0.51) SMN1; SMN2LMNAMAPTTP53MAPK1
SCHEMBL14707448 0.89 ABL1 (0.42) SMN1; SMN2LMNAMAPTTP53MAPK1
SCHEMBL13552960 0.89 ALDH1A1 (0.52) SMN1; SMN2LMNAMAPTTP53MAPK1
SCHEMBL13552956 0.88 MAPT (0.36) SMN1; SMN2LMNAMAPTTP53MAPK1
SCHEMBL13552963 0.86 FAAH (0.43) SMN1; SMN2LMNATP53MAPK1KMT2A
SCHEMBL13552752 0.85 CCR3 (0.44) SMN1; SMN2LMNAMAPTKMT2ACDK2
SCHEMBL14707412 0.82 KDR (0.43) SMN1; SMN2MAPTKMT2AALDH1A1NPC1
SCHEMBL15502730 0.82 SMN1; SMN2 (0.43) SMN1; SMN2MAPK1KMT2ACDK2FLT3
SCHEMBL13554746 0.81 NPC1 (0.47) SMN1; SMN2LMNAMAPK1KMT2ACDK2
SCHEMBL13552962 0.81 MAPT (0.38) SMN1; SMN2LMNAMAPTMAPK1KMT2A

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 SMN1; SMN2 1621/4885LMNA 3609/4885MAPT 427/4885
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS SHH, GLI1, SMO SMN1; SMN2 1621/4885LMNA 3609/4885MAPT 427/4885

“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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