SCHEMBL18200567

SCHEMBL18200567

c1ccc2c(-c3nc(-c4cccc5ccccc45)nc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)c5ncccc45)n3)cccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.40
KDM4E B2RXH2 6/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 2/20 0.36
LMNA P02545 2/20 0.35
AHR P35869 1/20 0.35
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
GMNN O75496 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL18200873 0.95 CYP3A4 (0.40) TOP2AKDM4EMAPTSMN1; SMN2TP53
SCHEMBL18200704 0.94 TOP2A (0.42) TOP2AKDM4EMAPTSMN1; SMN2TP53
SCHEMBL18200835 0.92 LMNA (0.37) TOP2AKDM4EMAPTSMN1; SMN2TP53
SCHEMBL18201160 0.91 CYP1A2 (0.43) TOP2AKDM4EMAPTSMN1; SMN2TP53
SCHEMBL18200569 0.91 METAP1 (0.43) KDM4EMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL18201251 0.90 TOP2A (0.40) TOP2AKDM4EMAPTSMN1; SMN2TP53
SCHEMBL18201150 0.89 MEN1 (0.40) TOP2AKDM4EMAPTSMN1; SMN2TP53
SCHEMBL18200568 0.88 TOP2A (0.34) TOP2AKDM4EMAPTSMN1; SMN2TP53
SCHEMBL18200833 0.87 TOP1 (0.46) TOP2AKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL18201152 0.87 COMT (0.41) KDM4EMAPTSMN1; SMN2TP53ALDH1A1

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 TOP2A 3861/4885KDM4E 1977/4885MAPT 1937/4885

“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.