SCHEMBL18200568

SCHEMBL18200568

c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)c5ncccc45)n3)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
TOP1 P11387 5/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
KLF5 Q13887 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 2/20 0.33
HTR2B P41595 1/20 0.32
HTR5A P47898 1/20 0.32
HPGD P15428 1/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL18200835 0.91 LMNA (0.37) TOP2ATOP1KDM4EMAPTLMNA
SCHEMBL18200748 0.91 ERN1 (0.37) TOP2ATOP1KDM4EMAPTLMNA
SCHEMBL18201152 0.88 COMT (0.41) TOP1KDM4EMAPTLMNAALDH1A1
SCHEMBL18201150 0.88 MEN1 (0.40) TOP2AKDM4EMAPTLMNAALDH1A1
SCHEMBL18200567 0.88 TOP2A (0.40) TOP2AKDM4EMAPTLMNAALDH1A1
SCHEMBL18200833 0.87 TOP1 (0.46) TOP2ATOP1KDM4EMAPTALDH1A1
SCHEMBL18201151 0.86 ALDH1A1 (0.41) KDM4EMAPTLMNAALDH1A1TP53
SCHEMBL18200873 0.86 CYP3A4 (0.40) TOP2AKDM4EMAPTLMNAALDH1A1
SCHEMBL18200569 0.86 METAP1 (0.43) KDM4EMAPTLMNAALDH1A1TP53
SCHEMBL18201160 0.86 CYP1A2 (0.43) TOP2AKDM4EMAPTLMNAALDH1A1

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 3861/4885AURKA 1998/4885AURKB 1803/4885

“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.