SCHEMBL22270711

SCHEMBL22270711

Nc1nc(-c2ccco2)c(-c2ccc3ncnn3c2)c2nccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.43
▸ PDE4A P27815 1/20 0.40
▸ ADORA2A P29274 7/20 0.38
▸ ADORA1 P30542 6/20 0.38
▸ DHFR P00374 1/20 0.37
▸ TGFBR1 P36897 3/20 0.37
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 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
SCHEMBL22270709 0.82 DYRK1A (0.44) DYRK1APDE4AADORA2AADORA1TGFBR1
SCHEMBL22281484 0.82 DYRK1A (0.44) DYRK1APDE4AADORA2AADORA1TGFBR1
SCHEMBL22270681 0.80 DYRK1A (0.46) DYRK1APDE4AADORA2AADORA1TGFBR1
SCHEMBL22271044 0.77 TGFBR1 (0.44) DYRK1APDE4AADORA2AADORA1TGFBR1
SCHEMBL22270744 0.76 DYRK1A (0.44) DYRK1APDE4AADORA2AADORA1TGFBR1
SCHEMBL22271109 0.75 DYRK1A (0.41) DYRK1APDE4ATGFBR1LRRK2SCN5A
SCHEMBL22271063 0.72 DYRK1A (0.44) DYRK1APDE4AADORA2AADORA1TGFBR1
SCHEMBL22270706 0.70 DYRK1A (0.43) DYRK1APDE4AADORA2AADORA1TGFBR1
SCHEMBL22270682 0.65 TGFBR1 (0.49) DYRK1AADORA2AADORA1TGFBR1CDK5
SCHEMBL24245238 0.65 DYRK1A (0.38) DYRK1APDE4ATGFBR1SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3686199-B9 FUSED RING DERIVATIVE AS A2A RECEPTOR INHIBITOR CSTONE PHARMACEUTICALS SUZHOU CO LTD (CN) 2022-12-07 — — EP disclosed
US-11312715-B2 Fused ring derivative as A2A receptor inhibitor CSTONE PHARMACEUTICALS (SUZHOU) CO., LTD. (CN) 2022-04-26 — — US disclosed
US-20200239465-A1 FUSED RING DERIVATIVE AS A2A RECEPTOR INHIBITOR CSTONE PHARMACEUTICALS (SHANGHAI) CO., LTD. (CN) 2020-07-30 — — US disclosed
EP-3686199-A1 FUSED RING DERIVATIVE AS A2A RECEPTOR INHIBITOR CSTONE PHARMACEUTICALS (SUZHOU) CO., LTD. (CN) 2020-07-29 — — EP 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-11312715-B2 Fused ring derivative as A2A receptor inhibitor ADORA2A, ADORA2B, ADORA1 DYRK1A 1011/4885PDE4A 529/4885ADORA2A 1/4885
US-20200239465-A1 FUSED RING DERIVATIVE AS A2A RECEPTOR INHIBITOR ADORA2A, ADORA2B, ADORA1 DYRK1A 1011/4885PDE4A 529/4885ADORA2A 1/4885

“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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