SCHEMBL18201065

SCHEMBL18201065

c1ccc2c(c1)ccc1c(-c3cc(-c4cccc5ncccc45)ccn3)nc3ccccc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.43
ACVR1 Q04771 6/20 0.42
TOP2A P11388 1/20 0.41
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ATR Q13535 1/20 0.39
MCL1 Q07820 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TGFBR1 P36897 2/20 0.37
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
CYP1A2 P05177 1/20 0.35
IDO1 P14902 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL18201077 0.94 ACVR1 (0.42) ERN1ACVR1CYP3A4KDM4EALDH1A1
SCHEMBL18200908 0.93 ALDH1A1 (0.41) ERN1TOP2AKDM4EALDH1A1MAPT
SCHEMBL18200910 0.84 MAPT (0.44) TOP2ACYP3A4KDM4EALDH1A1MAPT
SCHEMBL18201057 0.84 KDM4E (0.39) TOP2AKDM4EALDH1A1MAPTHPGD
SCHEMBL18200821 0.84 ERN1 (0.43) ERN1ACVR1TOP2ACYP3A4ATR
SCHEMBL18201041 0.83 ALDH1A1 (0.41) TOP2AKDM4EALDH1A1MAPTHPGD
SCHEMBL18201276 0.83 CYP3A4 (0.44) ERN1TOP2ACYP3A4ALDH1A1ATR
SCHEMBL18201311 0.82 ATR (0.45) ERN1TOP2ACYP3A4ALDH1A1ATR
SCHEMBL18201176 0.82 CYP3A4 (0.43) ERN1ACVR1TOP2ACYP3A4MAPT
SCHEMBL18201325 0.82 KDM4E (0.41) TOP2ACYP3A4KDM4EALDH1A1MAPT

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 ERN1 3509/4885ACVR1 3756/4885TOP2A 3861/4885

“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.