SCHEMBL18337906

SCHEMBL18337906

CC(C)(C)c1ncc(N)c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HSD17B10 Q99714 2/20 0.30
SCN9A Q15858 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
PMP22 Q01453 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL18336888 0.82 KCNH2 (0.31) L3MBTL1SCN10ASCN9A
SCHEMBL14870414 0.78 L3MBTL1 (0.34) L3MBTL1HPGDCNR1CNR2
SCHEMBL18701501 0.76 DAO (0.41) L3MBTL1HPGDCNR1CNR2SCN10A
SCHEMBL23461193 0.72
SCHEMBL19725083 0.72 KDM6B (0.56) L3MBTL1HPGDALDH1A1LMNAMEN1
SCHEMBL2219244 0.72 KDM6B (0.60) HPGDKDM4EHSD17B10
SCHEMBL12820646 0.72
SCHEMBL12590878 0.71 ALDH1A1 (0.45) L3MBTL1HPGDKDM4EALDH1A1LMNA
SCHEMBL24420568 0.68 CAPN1 (0.32) HPGDPDE3BPDE3AAURKBINCENP
SCHEMBL12727645 0.67 CNR1 (0.32) L3MBTL1CNR1CNR2SCN10A

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
EP-3683222-B1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-10-06 EP disclosed
EP-3683222-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2020-07-22 EP disclosed
CN-106661017-B Bicyclic or tricyclic heterocyclic compounds 田边三菱制药株式会社 2019-09-24 CN disclosed
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-09-04 US disclosed
EP-3135674-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 EP disclosed
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 US disclosed
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 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-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND CBR3, CBR1, CYCS L3MBTL1 3007/4885HPGD 3281/4885CNR1 5/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS L3MBTL1 2635/4885HPGD 3443/4885CNR1 5/4885

“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.