SCHEMBL18200751

SCHEMBL18200751

c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccc(-c6nc7ccccc7c7c6ccc6ccccc67)c6ncccc56)ccc34)cccc2c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 3/20 0.37
ERN1 O75460 1/20 0.36
TOP2A P11388 1/20 0.36
TOP1 P11387 3/20 0.33
MCL1 Q07820 2/20 0.33
ACMSD Q8TDX5 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DHODH Q02127 5/20 0.33
CYP3A4 P08684 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
SCHEMBL18200748 0.88 ERN1 (0.37) ACVR1ERN1TOP2ATOP1CYP3A4
SCHEMBL18200704 0.88 TOP2A (0.42) TOP2ATOP1MEN1KMT2ACYP3A4
SCHEMBL18200694 0.85 TOP1 (0.43) TOP2ATOP1CYP3A4
SCHEMBL18200567 0.85 TOP2A (0.40) TOP2AMEN1KMT2ACYP3A4
SCHEMBL18200494 0.82 MEN1 (0.39) MCL1ACMSDMEN1KMT2ADHODH
SCHEMBL18200701 0.82 MEN1 (0.35) ACVR1ERN1TOP2AMCL1ACMSD
SCHEMBL18200927 0.81 PIM1 (0.37) ERN1MCL1ACMSDMEN1KMT2A
SCHEMBL18201248 0.81 MEN1 (0.38) MEN1KMT2A
SCHEMBL18200873 0.81 CYP3A4 (0.40) ACVR1ERN1TOP2ACYP3A4
SCHEMBL17997923 0.81 TOP2A (0.39) TOP2ATOP1MEN1KMT2ADHODH

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 ACVR1 3756/4885ERN1 3509/4885TOP2A 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.