SCHEMBL18192014

SCHEMBL18192014

OB(O)c1ccccc1-c1nc2ccccc2n1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.62
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
ESR2 Q92731 5/20 0.53
ESR1 P03372 4/20 0.53
RAB9A P51151 1/20 0.49
PRKACA P17612 1/20 0.47
RPS6KB1 P23443 1/20 0.47
GSK3B P49841 1/20 0.47
ROCK1 Q13464 1/20 0.47
GSR P00390 1/20 0.46
CHRM2 P08172 3/20 0.44
CHRM4 P08173 3/20 0.44
CHRM5 P08912 3/20 0.44
CHRM1 P11229 3/20 0.44
CHRM3 P20309 3/20 0.44
GRIA1 P42261 1/20 0.44
CACNG8 Q8WXS5 1/20 0.44
CACNG2 Q9Y698 1/20 0.44
SLC22A12 Q96S37 1/20 0.43

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
SCHEMBL29466032 0.91 RECQL (0.55) RECQLMAPK1HTTESR2ESR1
SCHEMBL13085156 0.84 RECQL (0.71) RECQLMAPK1HTTESR2ESR1
SCHEMBL12854005 0.82 RECQL (0.69) RECQLMAPK1HTTESR2ESR1
SCHEMBL3473850 0.82 RECQL (0.69) RECQLMAPK1HTTESR2ESR1
SCHEMBL8010509 0.81 RECQL (0.64) RECQLMAPK1HTTESR2ESR1
SCHEMBL4303255 0.80 RECQL (0.67) RECQLMAPK1HTTESR2ESR1
SCHEMBL6807071 0.80 MEN1 (0.51) MAPK1HTTRAB9ARPS6KB1GSK3B
SCHEMBL21742579 0.79 RECQL (0.61) RECQLMAPK1HTTESR2ESR1
SCHEMBL27889547 0.79 RECQL (0.65) RECQLMAPK1HTTESR2ESR1
Lithium Ion SCHEMBL17385549 0.79 RECQL (0.61) RECQLMAPK1HTTESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108191761-B Heterocyclic compound and organic light-emitting device using the same LT素材株式会社 2021-12-21 CN disclosed
EP-3088392-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MAT LTD (KR) 2020-03-11 EP disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-20170222157-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-08-03 US disclosed
US-20170222157-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-08-03 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 (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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 RECQL 1460/4885MAPK1 4645/4885HTT 2080/4885
US-20170222157-A1 MATERIALS FOR ELECTRONIC DEVICES EYA3, EYA2, MITF RECQL 365/4885MAPK1 2385/4885HTT 312/4885

“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.