SCHEMBL18200455

SCHEMBL18200455

c1ccc2cc(-c3nc4ccccc4c4c3cc(-c3cc5c6ccccc6c6ccccc6c5c5ccccc35)c3ccccc34)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.39
ADORA1 P30542 3/20 0.39
DHODH Q02127 1/20 0.39
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38
GSTP1 P09211 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
MAPK9 P45984 2/20 0.37
MAPK10 P53779 2/20 0.37
MAPK8 P45983 1/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
HSD17B10 Q99714 2/20 0.35
THRB P10828 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
SCHEMBL18200403 0.93 HPRT1 (0.38) ADORA2AADORA1DHODHHTR2BHTR5A
SCHEMBL18200399 0.90 GSTP1 (0.38) ADORA2AADORA1DHODHHTR2BHTR5A
SCHEMBL18346973 0.90 CYP11B1 (0.39) ADORA2AADORA1DHODHHTR2BHTR5A
SCHEMBL18201037 0.90 ADORA2A (0.40) ADORA2AADORA1DHODHHTR2BHTR5A
SCHEMBL18201076 0.88 GPR84 (0.37) ADORA2AADORA1DHODHHTR2BHTR5A
SCHEMBL18200404 0.87 GPR84 (0.39) ADORA2AADORA1DHODHHTR2BHTR5A
SCHEMBL18200917 0.87 ESR1 (0.40) ADORA2AADORA1DHODHHTR2BHTR5A
SCHEMBL18346974 0.87 CYP11B1 (0.40) ADORA2AADORA1DHODHGSTP1ESR1
SCHEMBL18200645 0.86 MAPK8 (0.43) ADORA2AADORA1DHODHHTR2BHTR5A
SCHEMBL18200484 0.86 CYP1A1 (0.44) ADORA2AADORA1DHODHHTR2BHTR5A

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 ADORA2A 2482/4885ADORA1 3002/4885DHODH 33/4885

“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.