SCHEMBL18337079

SCHEMBL18337079

O=c1cc(-c2ccccc2)nc2ccc(Cl)nn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
RAD51 Q06609 1/20 0.47
TP53 P04637 5/20 0.46
ALDH1A1 P00352 5/20 0.43
AADAT Q8N5Z0 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.43
NTRK1 P04629 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CGAS Q8N884 1/20 0.41

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
SCHEMBL31314537 0.77 TP53 (0.53) KDM4ENPC1RAB9ATP53ALDH1A1
SCHEMBL15175758 0.77 TP53 (0.53) KDM4ENPC1RAB9ATP53ALDH1A1
SCHEMBL28958142 0.73 NPC1 (0.56) KDM4ENPC1RAB9ARAD51ALDH1A1
SCHEMBL18335922 0.72 NPC1 (0.48) KDM4ENPC1RAB9ATP53ALDH1A1
SCHEMBL3108835 0.71 NPC1 (0.54) KDM4ENPC1RAB9ATP53ALDH1A1
SCHEMBL18337787 0.71 PRMT5 (0.39) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL18337239 0.71 AADAT (0.41) KDM4ETP53ALDH1A1AADATMEN1
SCHEMBL3037601 0.70 AKT1 (0.68) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL1659969 0.70 NPC1 (0.47) KDM4ENPC1RAB9ARAD51TP53
SCHEMBL3115930 0.69 NTRK1 (0.50) KDM4ENPC1RAB9AALDH1A1SMN1; 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 6 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
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 KDM4E 2147/4885NPC1 2170/4885RAB9A 2731/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS KDM4E 2297/4885NPC1 2168/4885RAB9A 2958/4885

“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.