SCHEMBL18200542

SCHEMBL18200542

c1cc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)cc(-c2cc3c(-c4ccc5ccccc5c4)nc4ccccc4c3c3ccccc23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ATM Q13315 2/20 0.37
PIM1 P11309 2/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
ADORA2A P29274 4/20 0.35
ADORA1 P30542 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TP53 P04637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL18200550 0.99 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AATM
SCHEMBL18200347 0.96 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AATM
SCHEMBL18200918 0.96 ATM (0.38) ALDH1A1MAPTMEN1KMT2AATM
SCHEMBL18200541 0.94 MEN1 (0.41) ALDH1A1MEN1KMT2AATMAURKA
SCHEMBL18200757 0.93 MEN1 (0.39) ALDH1A1MAPTMEN1KMT2AATM
SCHEMBL18201259 0.93 MEN1 (0.43) ALDH1A1MEN1KMT2AATMAURKA
SCHEMBL18200613 0.93 MEN1 (0.40) ALDH1A1MEN1KMT2AATMAURKA
SCHEMBL18200348 0.93 MEN1 (0.43) ALDH1A1MEN1KMT2AATMAURKA
SCHEMBL18200629 0.92 MEN1 (0.38) ALDH1A1MAPTMEN1KMT2AATM
SCHEMBL18346982 0.92 MEN1 (0.42) ALDH1A1MEN1KMT2AATMAURKA

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 ALDH1A1 85/4885MAPT 1937/4885MEN1 1750/4885

“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.