SCHEMBL23517740

SCHEMBL23517740

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc5sc6ccccc6c45)c3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ GPR3 P46089 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ ABCG2 Q9UNQ0 2/20 0.33
▸ F9 P00740 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ CYP2D6 P10635 2/20 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
SCHEMBL23312658 0.96 ADORA2A (0.36) ADORA2AADORA1GPR3L3MBTL1MEN1
SCHEMBL23517781 0.96 MAP3K8 (0.37) ADORA2AADORA1GPR3L3MBTL1MEN1
SCHEMBL23517735 0.96 ADORA2A (0.36) ADORA2AADORA1GPR3L3MBTL1MEN1
SCHEMBL23312375 0.96 MAP3K8 (0.37) ADORA2AADORA1GPR3L3MBTL1MEN1
SCHEMBL23730813 0.95 HPGD (0.42) ADORA2AADORA1L3MBTL1MEN1ALDH1A1
SCHEMBL23517745 0.95 ADORA2A (0.35) ADORA2AADORA1GPR3L3MBTL1MEN1
SCHEMBL23312649 0.95 MAP3K8 (0.36) ADORA2AADORA1GPR3L3MBTL1MEN1
SCHEMBL23312487 0.93 PIK3CA (0.37) ADORA2AADORA1GPR3MEN1ALDH1A1
SCHEMBL23517748 0.93 PIK3CA (0.35) ADORA2AADORA1GPR3F9MAP3K8
SCHEMBL23312591 0.93 GPR3 (0.38) ADORA2AADORA1GPR3L3MBTL1MEN1

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-12018022-B2 Heterocyclic compound, organic light emitting diode comprising same, composition for organic layer of organic light emitting diode, and method for manufacturing organic light emitting diode LT MATERIALS CO., LTD. (KR) 2024-06-25 — — US disclosed
US-12018022-B2 Heterocyclic compound, organic light emitting diode comprising same, composition for organic layer of organic light emitting diode, and method for manufacturing organic light emitting diode LT MATERIALS CO., LTD. (KR) 2024-06-25 — — US disclosed
US-20210179596-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE LT MATERIALS CO., LTD. (KR) 2021-06-17 — — 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-12018022-B2 Heterocyclic compound, organic light emitting diode comprising same, composition for organic layer of organic light emitting diode, and method for manufacturing organic light emitting diode ODC1, AOX1, CYP1B1 ADORA2A 3452/4885ADORA1 2017/4885GPR3 3739/4885
US-20210179596-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE ODC1, AOX1, CYP1B1 ADORA2A 3452/4885ADORA1 2017/4885GPR3 3739/4885

“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.

Send feedback