SCHEMBL18200522

SCHEMBL18200522

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ATM Q13315 1/20 0.55
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NUDT1 P36639 3/20 0.42
ADORA2A P29274 1/20 0.42
DHODH Q02127 2/20 0.42
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE5A O76074 2/20 0.39
ABCG2 Q9UNQ0 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
SCHEMBL18200471 1.00 MEN1 (0.55) MEN1KMT2AATMLMNAMAPT
SCHEMBL17034886 0.98 MEN1 (0.56) MEN1KMT2AATMLMNAMAPT
SCHEMBL18200482 0.94 MEN1 (0.50) MEN1KMT2AATMLMNAMAPT
SCHEMBL18201205 0.94 MEN1 (0.60) MEN1KMT2AATMLMNAMAPT
SCHEMBL18200410 0.94 MEN1 (0.60) MEN1KMT2AATMLMNAMAPT
SCHEMBL18201112 0.94 MEN1 (0.60) MEN1KMT2AATMLMNAMAPT
SCHEMBL18201213 0.94 MEN1 (0.60) MEN1KMT2AATMLMNAMAPT
SCHEMBL18200597 0.94 MEN1 (0.60) MEN1KMT2AATMLMNAMAPT
SCHEMBL18200601 0.94 NUDT1 (0.47) MEN1KMT2AATMLMNAMAPT
SCHEMBL18200600 0.94 NUDT1 (0.47) MEN1KMT2AATMLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 US disclosed
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 MEN1 1750/4885KMT2A 1104/4885ATM 2923/4885

“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.