SCHEMBL18201166

SCHEMBL18201166

c1ccc2c(c1)ccc1c(-c3ncc(-c4ccnc5ccccc45)cn3)nc3ccccc3c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
GRM4 Q14833 7/20 0.43
HTR2B P41595 1/20 0.43
MTNR1A P48039 1/20 0.43
KCNH2 Q12809 1/20 0.43
TGFBR1 P36897 2/20 0.41
MAPK14 Q16539 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BMP4 P12644 1/20 0.40
CYP3A4 P08684 1/20 0.39
ACVR1 Q04771 1/20 0.39
IDO1 P14902 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL18201176 0.93 CYP3A4 (0.43) CYP1A2GRM4HTR2BMTNR1AKCNH2
SCHEMBL18201265 0.88 MAPT (0.43) CYP1A2NPC1RAB9ALMNAMAPT
SCHEMBL18200828 0.86 CA12 (0.47) CYP1A2GRM4HTR2BMTNR1AKCNH2
SCHEMBL18201183 0.86 NPC1 (0.42) CYP1A2NPC1RAB9ALMNAMAPT
SCHEMBL18200678 0.85 NPC1 (0.50) NPC1RAB9ALMNAMAPTRECQL
SCHEMBL18200710 0.85 NPC1 (0.49) CYP1A2NPC1RAB9ALMNAMAPT
SCHEMBL18201292 0.84 CYP1A2 (0.42) CYP1A2GRM4HTR2BMTNR1AKCNH2
SCHEMBL18201305 0.84 MEN1 (0.45) TGFBR1MAPK14NPC1RAB9ALMNA
SCHEMBL18201077 0.82 ACVR1 (0.42) CYP1A2GRM4HTR2BMTNR1AKCNH2
SCHEMBL18201324 0.82 CYP1A2 (0.45) CYP1A2GRM4HTR2BMTNR1AKCNH2

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 CYP1A2 134/4885GRM4 2051/4885HTR2B 1971/4885

“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.