SCHEMBL18738967

SCHEMBL18738967

C=N/C(C)=N\C=C(/C)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ TBXAS1 P24557 2/20 0.42
▸ PKM P14618 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ APP P05067 1/20 0.40
▸ HCAR3 P49019 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40
▸ F7 P08709 1/20 0.39
▸ F3 P13726 1/20 0.39
▸ SARM1 Q6SZW1 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ SIRT3 Q9NTG7 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39
▸ SIRT4 Q9Y6E7 1/20 0.39
▸ THRB P10828 1/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ ATM Q13315 1/20 0.37

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
SCHEMBL19060924 0.85 F7 (0.44) ALDH1A1TBXAS1PKMGAAESR1
SCHEMBL20652896 0.80 L3MBTL1 (0.38) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL19018493 0.80 KDM1A (0.37) ATMCYP1A2
SCHEMBL19006711 0.76 TBXAS1 (0.43) ALDH1A1TBXAS1PKMGAAESR1
SCHEMBL20402443 0.75 TBXAS1 (0.42) ALDH1A1TBXAS1PKMGAAESR1
SCHEMBL17135323 0.74 ALDH1A1 (0.52) ALDH1A1TBXAS1PKMGAAESR1
SCHEMBL18469285 0.74 ALDH1A1 (0.52) ALDH1A1TBXAS1PKMGAAESR1
SCHEMBL6921845 0.74 ALDH1A1 (0.52) ALDH1A1TBXAS1PKMGAAESR1
Ammonia Solution, Strong SCHEMBL27802137 0.72 TBXAS1 (0.50) ALDH1A1TBXAS1PKMGAAESR1
SCHEMBL991179 0.71 TBXAS1 (0.49) ALDH1A1TBXAS1PKMGAAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200099001-A1 ORGANIC LIGHT-EMITTING DEVICE, APPARATUS INCLUDING THE SAME, AND ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2020-03-26 — — 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-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 (2 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-20170104166-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 ALDH1A1 300/4885TBXAS1 4345/4885PKM 3400/4885
US-20200099001-A1 ORGANIC LIGHT-EMITTING DEVICE, APPARATUS INCLUDING THE SAME, AND ORGANOMETALLIC COMPOUND LEF1, OCIAD1, OXA1L ALDH1A1 9/4885TBXAS1 4434/4885PKM 2157/4885

“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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