SCHEMBL17796420

SCHEMBL17796420

Cc1cc(Cl)ncc1C(=O)N1CC[C@H](O)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.44
▸ LRRK2 Q5S007 2/20 0.44
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PIK3CA P42336 4/20 0.42
▸ MTOR P42345 4/20 0.42
▸ RORC P51449 3/20 0.41
▸ L3MBTL3 Q96JM7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PLAT P00750 1/20 0.40
▸ CCNK O75909 1/20 0.40
▸ CDK12 Q9NYV4 1/20 0.40
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ CYP46A1 Q9Y6A2 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
SCHEMBL17796521 1.00 RAB9A (0.44) RAB9ALRRK2HPGDMEN1KMT2A
SCHEMBL17796440 0.92 KMT2A (0.48) HPGDMEN1KMT2APIK3CAMTOR
SCHEMBL17796675 0.92 KMT2A (0.48) HPGDMEN1KMT2APIK3CAMTOR
SCHEMBL17804187 0.79 HPGD (0.48) RAB9AHPGDMEN1KMT2AL3MBTL3
SCHEMBL17796530 0.77 HPGD (0.56) LRRK2HPGDLMNA
SCHEMBL17796415 0.75 PIK3CA (0.41) RAB9AKMT2APIK3CAMTORRORC
SCHEMBL22735368 0.72 CYP46A1 (0.54) RAB9AHPGDL3MBTL3L3MBTL1ALDH1A1
SCHEMBL13618525 0.72 ALDH1A1 (0.62) HPGDKMT2AALDH1A1
SCHEMBL16441352 0.71 LRRK2 (0.42) LRRK2
SCHEMBL21177577 0.70 RAB9A (0.43) RAB9AHPGDRORCL3MBTL3L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 — — US disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 — — US disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 — — US disclosed
EP-3029031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-08 — — EP disclosed
EP-3029031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-08 — — 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 (1 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-20160159773-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA RAB9A 2304/4885LRRK2 369/4885HPGD 3414/4885

“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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