SCHEMBL18200718

SCHEMBL18200718

c1ccc2c(-c3cnc(-c4nc5ccccc5c5c4ccc4ccccc45)c4ccccc34)cccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.36
CYP1A2 P05177 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE10A Q9Y233 1/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GPR3 P46089 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
ATR Q13535 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
BCHE P06276 2/20 0.33

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
SCHEMBL18200581 0.91 MAPT (0.35) TOP2ACYP1A2MEN1KMT2APDE10A
SCHEMBL18201278 0.89 TOP2A (0.36) TOP2ACYP1A2MEN1KMT2APDE10A
SCHEMBL18200705 0.87 MAPT (0.41) TOP2AMEN1KMT2APDE10AMAPT
SCHEMBL18200701 0.84 MEN1 (0.35) TOP2ACYP1A2MEN1KMT2AMAPT
SCHEMBL18200874 0.84 MAPT (0.34) TOP2ACYP1A2MEN1KMT2APDE10A
SCHEMBL18200641 0.84 CYP1A2 (0.42) TOP2ACYP1A2MEN1KMT2AMAPT
SCHEMBL18200675 0.83 CYP3A4 (0.40) TOP2ACYP1A2PDE10AMAPTSMN1; SMN2
SCHEMBL18201218 0.83 MAPT (0.43) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL18200695 0.83 ADORA2A (0.45) CYP1A2MAPTSMN1; SMN2NPC1LMNA
SCHEMBL18201323 0.82 MAPT (0.43) TOP2ACYP1A2KMT2AMAPTSMN1; SMN2

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 3861/4885CYP1A2 134/4885MEN1 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.