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SCHEMBL796000

SCHEMBL796000

CC(C)(C)OC(=O)N1CCC(Nc2c(N)cnc3ccc(Cl)nc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MELK Q14680 1/20 0.47
▸ MAP4K4 O95819 2/20 0.46
▸ CNR1 P21554 3/20 0.46
▸ JAK1 P23458 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ GPR119 Q8TDV5 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ MET P08581 1/20 0.42
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42

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
SCHEMBL16748171 0.95 PIK3CD (0.46) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL16748188 0.90 MAP4K4 (0.45) MEN1KMT2AMELKMAP4K4CNR1
SCHEMBL16748163 0.90 MAP4K4 (0.45) MEN1KMT2AMELKMAP4K4CNR1
SCHEMBL18157252 0.90 MAP4K4 (0.45) MEN1KMT2AMELKMAP4K4CNR1
SCHEMBL14978589 0.89 MEN1 (0.48) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL2279974 0.88 MELK (0.53) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL10069805 0.88 CNR1 (0.47) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL16086150 0.87 MEN1 (0.48) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL16804762 0.86 MELK (0.51) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL796508 0.85 MEN1 (0.47) MEN1KMT2AALDH1A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 — — US disclosed
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 — — US disclosed
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 — — US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 — — US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 — — US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 — — US disclosed
EP-2616468-A1 FUSED HETEROARYLS AND THEIR USES Hutchison Medipharma Limited (CN) 2013-07-24 — — EP disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 — — WO disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 — — WO 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-20130190307-A1 FUSED HETEROARYLS AND THEIR USES FARS2, TIAL1, DHFR MEN1 1459/4885KMT2A 4123/4885ALDH1A1 1182/4885

“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.