SCHEMBL18017685

SCHEMBL18017685

c1ccc(-c2nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)c8c(n7)sc7ccccc78)c6)c5)c4)c3)nc3sc4ccccc4c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.40
▸ ADORA1 P30542 9/20 0.40
▸ HPGD P15428 3/20 0.38
▸ WHR1 P49842 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ ADORA3 P0DMS8 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34

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
SCHEMBL18017800 1.00 ADORA2A (0.40) ADORA2AADORA1HPGDWHR1MEN1
SCHEMBL18017798 1.00 ADORA2A (0.40) ADORA2AADORA1HPGDWHR1MEN1
SCHEMBL18370801 0.99 ADORA2A (0.40) ADORA2AADORA1HPGDWHR1MEN1
SCHEMBL18370747 0.99 ADORA2A (0.40) ADORA2AADORA1HPGDWHR1MEN1
SCHEMBL18370718 0.99 ADORA2A (0.40) ADORA2AADORA1HPGDWHR1MEN1
SCHEMBL18370779 0.99 ADORA2A (0.40) ADORA2AADORA1HPGDWHR1MEN1
SCHEMBL18017794 0.99 ADORA2A (0.41) ADORA2AADORA1HPGDWHR1MEN1
SCHEMBL18370749 0.97 ADORA2A (0.39) ADORA2AADORA1HPGDWHR1MEN1
SCHEMBL18017852 0.97 ADORA2A (0.39) ADORA2AADORA1HPGDWHR1MEN1
SCHEMBL18370785 0.97 ADORA2A (0.39) ADORA2AADORA1HPGDWHR1MEN1

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-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-08-18 — — US disclosed
US-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-08-18 — — 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 (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-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OR10J3, OXER1, OCIAD1 ADORA2A 3675/4885ADORA1 2882/4885HPGD 625/4885

“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.

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