SCHEMBL22274202

SCHEMBL22274202

Clc1nc(-c2ccccc2)nc(-c2cccc(-c3cccc4sc5ccccc5c34)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.37
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ NR1I3 Q14994 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ F9 P00740 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ PDE5A O76074 3/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ SLC9A1 P19634 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33

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
SCHEMBL27362727 0.94 S1PR5 (0.36) LIMK1ADORA2AADORA1NR1I3ALDH1A1
SCHEMBL25000307 0.93 LIMK1 (0.41) LIMK1ADORA2AADORA1ALDH1A1HPGD
SCHEMBL21148195 0.93 LIMK1 (0.41) LIMK1ADORA2AADORA1ALDH1A1HPGD
SCHEMBL23437159 0.92 LIMK1 (0.39) LIMK1ADORA2AADORA1ALDH1A1HPGD
SCHEMBL19196590 0.92 LIMK1 (0.40) LIMK1ADORA2AADORA1ALDH1A1HPGD
SCHEMBL24810828 0.91 NR1I3 (0.34) LIMK1ADORA2AADORA1NR1I3ALDH1A1
SCHEMBL17524705 0.91 TSHR (0.36) LIMK1ADORA2AADORA1ALDH1A1HPGD
SCHEMBL29384396 0.91 TSHR (0.36) LIMK1ADORA2AADORA1ALDH1A1HPGD
SCHEMBL24266637 0.91 LIMK1 (0.39) LIMK1ADORA2AADORA1ALDH1A1HPGD
SCHEMBL21563853 0.91 LIMK1 (0.39) LIMK1ADORA2AADORA1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807630-B2 Compound for organic electronic element, organic electronic element comprising the same, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-11-07 — — US disclosed
US-11807630-B2 Compound for organic electronic element, organic electronic element comprising the same, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-11-07 — — US disclosed
US-20220085298-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE LT MATERIALS CO., LTD. (KR) 2022-03-17 — — US disclosed
US-20210163452-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2021-06-03 — — US disclosed
WO-2020153758-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 엘티소재주식회사 2020-07-30 — — WO 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 (3 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-20220085298-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE ALDH1A2, OXER1, AOX1 LIMK1 217/4885ADORA2A 2575/4885ADORA1 1657/4885
US-20210163452-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, OR10J3 LIMK1 66/4885ADORA2A 4802/4885ADORA1 4159/4885
US-11807630-B2 Compound for organic electronic element, organic electronic element comprising the same, and electronic device thereof PIEZO1, OCIAD1, OR10J3 LIMK1 66/4885ADORA2A 4802/4885ADORA1 4159/4885

“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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