SCHEMBL18200726

SCHEMBL18200726

c1ccc2cc(-c3nc(-c4ccc(-c5ccc(-c6nc7ccccc7c7c6ccc6ccccc67)cc5)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
WHR1 P49842 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
ADORA2A P29274 2/20 0.37
ADORA1 P30542 1/20 0.37
CCR4 P51679 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 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
SCHEMBL18347000 0.99 MEN1 (0.48) MEN1KMT2AATMAURKAAURKB
SCHEMBL18200520 0.94 MEN1 (0.44) MEN1KMT2AATMAURKAAURKB
SCHEMBL18200734 0.92 MEN1 (0.43) MEN1KMT2AATMAURKAAURKB
SCHEMBL18200596 0.92 MEN1 (0.51) MEN1KMT2AATMAURKAAURKB
SCHEMBL18201104 0.92 CYP1A1 (0.43) MEN1KMT2AATMAURKAAURKB
SCHEMBL18201033 0.92 ESR1 (0.42) MEN1KMT2AATMKDM4EALDH1A1
SCHEMBL18200538 0.92 ESR1 (0.42) MEN1KMT2AATMKDM4EALDH1A1
SCHEMBL18200522 0.92 MEN1 (0.55) MEN1KMT2AATMSMN1; SMN2KDM4E
SCHEMBL18200604 0.92 ESR1 (0.42) MEN1KMT2AATMKDM4EALDH1A1
SCHEMBL18200471 0.92 MEN1 (0.55) MEN1KMT2AATMSMN1; SMN2KDM4E

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.