SCHEMBL18200403

SCHEMBL18200403

c1ccc2cc(-c3nc4ccccc4c4c3cc(-c3cc5c6ccccc6ccc5c5ccccc35)c3ccccc34)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.38
MAPK9 P45984 2/20 0.38
MAPK10 P53779 2/20 0.38
MAPK8 P45983 1/20 0.38
DHODH Q02127 1/20 0.37
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
HTR2B P41595 1/20 0.36
HTR5A P47898 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 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
SCHEMBL18200455 0.93 ADORA2A (0.39) MAPK9MAPK10MAPK8DHODHADORA2A
SCHEMBL18200399 0.92 GSTP1 (0.38) MAPK9MAPK10MAPK8DHODHADORA2A
SCHEMBL18200404 0.92 GPR84 (0.39) MAPK9MAPK10MAPK8DHODHADORA2A
SCHEMBL18200402 0.90 ADORA2A (0.36) HPRT1MAPK9MAPK10MAPK8DHODH
SCHEMBL18346973 0.89 CYP11B1 (0.39) MAPK9MAPK10MAPK8DHODHADORA2A
SCHEMBL18201076 0.87 GPR84 (0.37) MAPK9MAPK10MAPK8DHODHADORA2A
SCHEMBL18201037 0.86 ADORA2A (0.40) MAPK9MAPK10MAPK8DHODHADORA2A
SCHEMBL18346974 0.86 CYP11B1 (0.40) DHODHADORA2AADORA1ALDH1A1KDM4E
SCHEMBL18200645 0.86 MAPK8 (0.43) MAPK9MAPK10MAPK8DHODHADORA2A
SCHEMBL18346929 0.85 MET (0.40) MAPK9MAPK10MAPK8DHODHADORA2A

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 HPRT1 36/4885MAPK9 3843/4885MAPK10 4523/4885

“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.