SCHEMBL18200520

SCHEMBL18200520

c1cc(-c2ccc(-c3nc4ccccc4c4c3ccc3ccccc34)cc2)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
ADORA2A P29274 3/20 0.37
ADORA1 P30542 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
VDR P11473 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
AHR P35869 1/20 0.37
NR1I3 Q14994 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
PDE7A Q13946 1/20 0.37
PDE7B Q9NP56 1/20 0.37
DHODH Q02127 2/20 0.36
NUDT1 P36639 1/20 0.36

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
SCHEMBL18200734 0.96 MEN1 (0.43) MEN1KMT2AATMAURKAAURKB
SCHEMBL18200580 0.96 MEN1 (0.42) MEN1KMT2AATMAURKAAURKB
SCHEMBL18200825 0.95 MEN1 (0.49) MEN1KMT2AATMADORA2ACYP1A2
SCHEMBL17034883 0.95 MEN1 (0.43) MEN1KMT2AATMAURKAAURKB
SCHEMBL18200834 0.94 CYP1A1 (0.43) MEN1KMT2AATMAURKAAURKB
SCHEMBL18201122 0.94 MEN1 (0.47) MEN1KMT2AATMAURKAAURKB
SCHEMBL18201226 0.94 CYP1A1 (0.43) MEN1KMT2AATMAURKAAURKB
SCHEMBL18200726 0.94 MEN1 (0.47) MEN1KMT2AATMAURKAAURKB
SCHEMBL18200482 0.94 MEN1 (0.50) MEN1KMT2AATMADORA2ADHODH
SCHEMBL17035065 0.93 MEN1 (0.39) MEN1KMT2AATMAURKAAURKB

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.