SCHEMBL23998513

SCHEMBL23998513

Cc1cc(Br)cc2ncnn12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ EGLN2 Q96KS0 15/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.31

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
SCHEMBL259595 0.79 EGLN2 (0.49) ALDH1A1EGLN2ENPP1HTT
SCHEMBL138355 0.76 ALDH1A1 (0.44) ALDH1A1EGLN2ENPP1HTT
SCHEMBL23055294 0.73 ALDH1A1 (0.42) ALDH1A1EGLN2
SCHEMBL25347932 0.72 EGLN2 (0.40) ALDH1A1EGLN2
SCHEMBL259718 0.71 EGLN2 (0.38) ALDH1A1EGLN2ENPP1
SCHEMBL25124572 0.69 EGLN2 (0.54) ALDH1A1EGLN2ENPP1
SCHEMBL23998384 0.67 ALDH1A1 (0.37) ALDH1A1EGLN2
SCHEMBL6117758 0.67 EGLN2 (0.58) EGLN2
SCHEMBL26857578 0.65 PIK3CG (0.49) ALDH1A1NPC1RAB9A
SCHEMBL64680 0.65 ALDH1A1 (0.42) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122010947-A Antagonists of adenosine A2a receptors 阿道尔克斯治疗有限公司 2026-05-12 — — CN disclosed
US-12617796-B2 Antagonists of the adenosine A2a receptor JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 — — US disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 — — WO disclosed
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
CN-115996929-A Antagonists of adenosine A2a receptors 阿道尔克斯治疗有限公司 2023-04-21 — — CN disclosed
EP-4146654-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR Adorx therapeutics Limited (GB) 2023-03-15 — — EP disclosed
WO-2021224636-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR AdoRx Therapeutics Limited (GB) 2021-11-11 — — WO disclosed
WO-2021224636-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR AdoRx Therapeutics Limited (GB) 2021-11-11 — — 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 (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-12617796-B2 Antagonists of the adenosine A2a receptor ADORA2A, ADORA2B, ADORA3 ALDH1A1 1348/4885EGLN2 1526/4885ENPP1 640/4885
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR ADORA2A, ADORA1, ADORA3 ALDH1A1 431/4885EGLN2 2509/4885ENPP1 451/4885

“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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