SCHEMBL13552963

SCHEMBL13552963

CC(=O)N1CCN(Cc2ccc(NC(=S)Nc3ccc(Cl)c(-c4nccc5ccccc45)c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CDK2 P24941 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ PTPN7 P35236 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL13554744 0.91 CDK2 (0.41) FAAHMEN1KMT2AATMCDK2
SCHEMBL13552820 0.90 LMNA (0.49) KMT2ACDK2FLT3CCNA1ALDH1A1
SCHEMBL14707448 0.90 ABL1 (0.42) KMT2ACDK2FLT3CCNA1ALDH1A1
SCHEMBL13552961 0.88 KMT2A (0.51) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL13552960 0.86 ALDH1A1 (0.52) KMT2ACDK2FLT3CCNA1ALDH1A1
SCHEMBL14707447 0.86 SMN1; SMN2 (0.41) KMT2ACDK2FLT3CCNA1ALDH1A1
SCHEMBL13552954 0.83 GAA (0.47) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL14707412 0.80 KDR (0.43) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL13552962 0.80 MAPT (0.38) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL13552948 0.79 ALDH1A1 (0.52) MEN1KMT2AALDH1A1POLBSMN1; 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 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 FAAH 4337/4885MEN1 1016/4885KMT2A 2378/4885
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling SHH, GLI1, SMO FAAH 3102/4885MEN1 1456/4885KMT2A 1798/4885
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS SHH, GLI1, SMO FAAH 4337/4885MEN1 1016/4885KMT2A 2378/4885

“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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