SCHEMBL18738976

SCHEMBL18738976

C=N/C(C)=C\C=C(/C)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ NAPRT Q6XQN6 1/20 0.39
▸ P4HTM Q9NXG6 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RAB9A P51151 7/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ PTBP1 P26599 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TOP2A P11388 2/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ AGTR1 P30556 2/20 0.38
▸ HSP90AA1 P07900 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ GAA P10253 3/20 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
SCHEMBL19480611 0.80 ALDH1A1 (0.53) KDM4EALDH1A1CES2CES1LMNA
SCHEMBL10465175 0.79 ALDH1A1 (0.52) KDM4EALDH1A1CES2CES1LMNA
SCHEMBL18410851 0.79 ALDH1A1 (0.52) KDM4EALDH1A1CES2CES1LMNA
SCHEMBL23343244 0.77 KDM4E (0.52) KDM4EALDH1A1CES2CES1LMNA
SCHEMBL19001629 0.75 KDM4E (0.46) KDM4EALDH1A1CES2CES1LMNA
SCHEMBL2554971 0.75 ALDH1A1 (0.57) KDM4EALDH1A1CES2CES1LMNA
SCHEMBL2554972 0.75 ALDH1A1 (0.57) KDM4EALDH1A1CES2CES1LMNA
SCHEMBL19039480 0.75 ALDH1A1 (0.52) KDM4EALDH1A1CES2CES1LMNA
SCHEMBL13363919 0.75 ALDH1A1 (0.47) KDM4EALDH1A1CES2CES1LMNA
SCHEMBL6158138 0.74 ALDH1A1 (0.55) KDM4EALDH1A1CES2CES1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11056664-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2021-07-06 — — US disclosed
US-10461262-B2 Condensed cyclic compound and an organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-29 — — US disclosed
US-9905781-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-27 — — US disclosed
US-20170179408-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 — — US disclosed
US-20170179396-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 — — US disclosed
US-20170104166-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-04-13 — — 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-10461262-B2 Condensed cyclic compound and an organic light-emitting device including the same CRY1, CRY2, CCNA1 KDM4E 3545/4885ALDH1A1 237/4885CES2 1818/4885
US-20170179408-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNA1 KDM4E 3545/4885ALDH1A1 237/4885CES2 1818/4885
US-20170104166-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 KDM4E 2143/4885ALDH1A1 300/4885CES2 1093/4885
US-11056664-B2 Organic light-emitting device EML4, L1CAM, OR10J3 KDM4E 2441/4885ALDH1A1 47/4885CES2 138/4885

“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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