SCHEMBL18017682

SCHEMBL18017682

c1ccc(-c2nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6sc7ccccc7c56)c4)c3)c3c(n2)sc2ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.43
▸ ADORA1 P30542 5/20 0.43
▸ HPGD P15428 4/20 0.38
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ELANE P08246 1/20 0.36

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
SCHEMBL18017765 1.00 ADORA2A (0.43) ADORA2AADORA1HPGDMEN1KMT2A
SCHEMBL18017699 1.00 ADORA2A (0.43) ADORA2AADORA1HPGDMEN1KMT2A
SCHEMBL18370715 0.99 ADORA2A (0.43) ADORA2AADORA1HPGDMEN1KMT2A
SCHEMBL18017716 0.99 ADORA2A (0.44) ADORA2AADORA1HPGDMEN1KMT2A
SCHEMBL18017991 0.97 ADORA2A (0.42) ADORA2AADORA1HPGDMEN1KMT2A
SCHEMBL18018004 0.97 ADORA2A (0.42) ADORA2AADORA1HPGDMEN1KMT2A
SCHEMBL18370728 0.97 ADORA2A (0.42) ADORA2AADORA1HPGDMEN1KMT2A
SCHEMBL18017921 0.97 ADORA2A (0.42) ADORA2AADORA1HPGDMEN1KMT2A
SCHEMBL18158674 0.97 ADORA2A (0.42) ADORA2AADORA1HPGDMEN1KMT2A
SCHEMBL18017919 0.97 ADORA2A (0.42) ADORA2AADORA1HPGDMEN1KMT2A

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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