SCHEMBL18200541

SCHEMBL18200541

c1cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc(-c2cc3c(-c4ccc5ccccc5c4)nc4ccccc4c3c3ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
ADORA2A P29274 5/20 0.39
ADORA1 P30542 3/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
NR1I3 Q14994 3/20 0.37
CYP2B6 P20813 2/20 0.37
AHR P35869 2/20 0.37
VDR P11473 1/20 0.37
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACACA Q13085 2/20 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
SCHEMBL18201259 0.99 MEN1 (0.43) MEN1KMT2AATMADORA2AADORA1
SCHEMBL18200348 0.99 MEN1 (0.43) MEN1KMT2AATMADORA2AADORA1
SCHEMBL18200613 0.99 MEN1 (0.40) MEN1KMT2AATMADORA2AADORA1
SCHEMBL18346982 0.98 MEN1 (0.42) MEN1KMT2AATMADORA2AADORA1
SCHEMBL17035005 0.97 MEN1 (0.44) MEN1KMT2AATMADORA2AADORA1
SCHEMBL18200936 0.96 MEN1 (0.41) MEN1KMT2AATMADORA2AADORA1
SCHEMBL18200352 0.95 MEN1 (0.39) MEN1KMT2AATMADORA2AADORA1
SCHEMBL18200956 0.95 MEN1 (0.45) MEN1KMT2AATMADORA2AADORA1
SCHEMBL18200996 0.95 MEN1 (0.42) MEN1KMT2AATMADORA2AADORA1
SCHEMBL18200542 0.94 ALDH1A1 (0.37) MEN1KMT2AATMADORA2AADORA1

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.