SCHEMBL20866552

SCHEMBL20866552

c1ccc(-c2cccc(-c3cccc4c3[nH]c3ccccc34)n2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
LMNA P02545 3/20 0.55
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CCR1 P32246 2/20 0.55
CCR5 P51681 2/20 0.55
CCR8 P51685 2/20 0.55
TP53 P04637 1/20 0.55
ALPL P05186 1/20 0.55
HSP90AA1 P07900 1/20 0.55
ALPI P09923 1/20 0.55
ALPG P10696 1/20 0.55
ALOX15 P16050 1/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
BCHE P06276 1/20 0.54
TDO2 P48775 3/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 2/20 0.46

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
SCHEMBL31173712 1.00 KDM4E (0.55) KDM4ELMNAMAPK1SMN1; SMN2CCR1
SCHEMBL31173711 1.00 KDM4E (0.55) KDM4ELMNAMAPK1SMN1; SMN2CCR1
SCHEMBL149958 0.91 BCHE (0.55) KDM4EMAPK1BCHETDO2HPGD
SCHEMBL29986103 0.91 BCHE (0.55) KDM4EMAPK1BCHETDO2HPGD
SCHEMBL25822165 0.89 BCHE (0.55) KDM4EMAPK1BCHETDO2HPGD
SCHEMBL3133987 0.86 BCHE (0.51) KDM4EMAPK1BCHETDO2HPGD
SCHEMBL17294843 0.81 TDO2 (0.48) KDM4EMAPK1BCHETDO2HPGD
SCHEMBL29184538 0.80 BCHE (0.52) KDM4ELMNAMAPK1SMN1; SMN2TP53
Carbazole SCHEMBL12099644 0.80 KDM4E (0.61) KDM4ELMNAMAPK1SMN1; SMN2CCR1
Carbazole SCHEMBL28334621 0.80 KDM4E (0.61) KDM4ELMNAMAPK1SMN1; SMN2CCR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10763445-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-09-01 US disclosed
US-20190103566-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-04-04 US 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 (2 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-10763445-B2 Organometallic compound and organic light-emitting device including the same CRY1, ORC3, PPOX KDM4E 2548/4885LMNA 4540/4885MAPK1 3281/4885
US-20190103566-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, ORC3, PPOX KDM4E 2548/4885LMNA 4540/4885MAPK1 3281/4885

“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.