SCHEMBL20489685

SCHEMBL20489685

CCc1cnc(NCc2ccc(OC)cc2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
KMT2A Q03164 1/20 0.53
HDAC1 Q13547 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CLK4 Q9HAZ1 3/20 0.47
VNN1 O95497 3/20 0.47
CLK1 P49759 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ASPH Q12797 1/20 0.45
RIOX2 Q8IUF8 1/20 0.45
KDM8 Q8N371 1/20 0.45
DYRK1A Q13627 2/20 0.44
EGFR P00533 1/20 0.43

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
SCHEMBL20489500 0.86 MAPT (0.57) NPC1RAB9AKMT2AHDAC1HDAC3
SCHEMBL20489451 0.82 KMT2A (0.52) NPC1RAB9AKMT2AHDAC1HDAC3
SCHEMBL20489430 0.80 NPC1 (0.51) NPC1RAB9AKMT2AHDAC1HDAC3
SCHEMBL19641240 0.80 LMNA (0.49) NPC1RAB9AKMT2AHDAC1HDAC3
SCHEMBL30677194 0.80 LMNA (0.49) NPC1RAB9AKMT2AHDAC1HDAC3
SCHEMBL23612318 0.80 NPC1 (0.51) NPC1RAB9AKMT2AHDAC1HDAC3
SCHEMBL30059687 0.80 NPC1 (0.51) NPC1RAB9AKMT2AHDAC1HDAC3
SCHEMBL31240859 0.79 NPC1 (0.48) NPC1RAB9AKMT2AMAPTLMNA
SCHEMBL19641334 0.79 NPC1 (0.51) NPC1RAB9AKMT2AHDAC1HDAC3
SCHEMBL20489508 0.79 CLK4 (0.48) NPC1RAB9AKMT2AHDAC1HDAC3

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
EP-3372601-B1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2022-09-21 EP disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
EP-3372601-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2018-09-12 EP 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-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND KAT2A, KAT7, KAT5 NPC1 730/4885RAB9A 3109/4885KMT2A 91/4885
US-10793582-B2 Bicyclic heterocyclic compound KAT2A, KAT7, KAT5 NPC1 707/4885RAB9A 3634/4885KMT2A 80/4885

“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.