SCHEMBL18158653

SCHEMBL18158653

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6sc7ccccc7c56)c4)c3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.42
▸ ADORA1 P30542 7/20 0.42
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ATM Q13315 1/20 0.38
▸ HPGD P15428 4/20 0.37
▸ WHR1 P49842 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 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
SCHEMBL18158674 1.00 ADORA2A (0.42) ADORA2AADORA1MEN1KMT2AATM
SCHEMBL18158680 1.00 ADORA2A (0.42) ADORA2AADORA1MEN1KMT2AATM
SCHEMBL18158662 0.99 ADORA2A (0.43) ADORA2AADORA1MEN1KMT2AATM
SCHEMBL18158622 0.97 ADORA2A (0.42) ADORA2AADORA1MEN1KMT2AATM
SCHEMBL18158657 0.97 ADORA2A (0.42) ADORA2AADORA1MEN1KMT2AATM
SCHEMBL18017696 0.97 ADORA2A (0.42) ADORA2AADORA1MEN1KMT2AATM
SCHEMBL18017705 0.97 ADORA2A (0.42) ADORA2AADORA1MEN1KMT2AATM
SCHEMBL18017704 0.97 ADORA2A (0.42) ADORA2AADORA1MEN1KMT2AATM
SCHEMBL18158645 0.97 ADORA2A (0.42) ADORA2AADORA1MEN1KMT2AATM
SCHEMBL18017765 0.97 ADORA2A (0.43) ADORA2AADORA1MEN1KMT2AATM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10319921-B2 Composition for organic optoelectronic device and organic optoelectronic device and display device SAMSUNG SDI CO., LTD. (KR) 2019-06-11 — — US disclosed
US-20180026205-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-01-25 — — US disclosed
US-20180026205-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-01-25 — — US disclosed
US-20170309829-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-10-26 — — US disclosed
US-20170309829-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-10-26 — — US disclosed
US-20160308142-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-10-20 — — US disclosed
US-20160308142-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-10-20 — — 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 (4 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-20160308142-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 ADORA2A 4711/4885ADORA1 4810/4885MEN1 838/4885
US-10319921-B2 Composition for organic optoelectronic device and organic optoelectronic device and display device OR10J3, OR51E2, OXER1 ADORA2A 3976/4885ADORA1 3025/4885MEN1 2391/4885
US-20170309829-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE OCIAD2, OCIAD1, OR10J3 ADORA2A 3930/4885ADORA1 3510/4885MEN1 2593/4885
US-20180026205-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OR10J3, OR51E2, OXER1 ADORA2A 3814/4885ADORA1 2913/4885MEN1 2498/4885

“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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