SCHEMBL29108606

SCHEMBL29108606

Clc1nc(-c2ccco2)nc2[nH]c(C#Cc3ccccc3)nc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.37
▸ ADORA2A P29274 10/20 0.36
▸ ADORA1 P30542 8/20 0.36
▸ ADORA3 P0DMS8 5/20 0.36
▸ ADORA2B P29275 4/20 0.36
▸ PDE5A O76074 2/20 0.36
▸ APAF1 O14727 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ APBA1 Q02410 1/20 0.33
▸ SAE1 Q9UBE0 1/20 0.33
▸ UBA2 Q9UBT2 1/20 0.33
▸ THRB P10828 1/20 0.32

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
SCHEMBL26968630 0.86 ADORA2A (0.46) ADORA2AADORA1ADORA3ADORA2BPDE5A
SCHEMBL29108593 0.85 ADORA2A (0.39) ADORA2AADORA1ADORA3ADORA2BPDE5A
SCHEMBL26968464 0.84 ADORA2A (0.48) DHODHADORA2AADORA1ADORA3ADORA2B
SCHEMBL26968644 0.79 ADORA3 (0.60) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL26800401 0.76 DHODH (0.37) DHODHADORA2AADORA1ADORA3ADORA2B
SCHEMBL26968658 0.76 CXCR2 (0.37) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL26968349 0.75 PDE5A (0.42) ADORA2AADORA1ADORA3PDE5ANPC1
SCHEMBL26968629 0.74 ADORA3 (0.56) ADORA2AADORA1ADORA3ADORA2BPDE5A
SCHEMBL29108642 0.74 PDE5A (0.41) ADORA2AADORA1ADORA3ADORA2BPDE5A
SCHEMBL29108647 0.73 ADORA3 (0.37) ADORA2AADORA1ADORA3ADORA2BPDE5A

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
US-20240199679-A1 ADENOSINE DERIVATIVE HAVING ANTAGONISTIC ACTION ON A2A AND A3 ADENOSINE RECEPTORS AND METHOD FOR PREPARING SAME FUTURE MEDICINE CO., LTD. (KR) 2024-06-20 — — US disclosed
EP-4296273-A1 ADENOSINE DERIVATIVE HAVING ANTAGONISTIC ACTION ON A2A AND A3 ADENOSINE RECEPTORS AND METHOD FOR PREPARING SAME Future Medicine Co., Ltd. (KR) 2023-12-27 — — EP disclosed
CN-117083286-A Pair A 2A A is a 3 Adenosine derivatives having antagonism to adenosine receptor and process for preparing same 未来制药有限公司 2023-11-17 — — CN disclosed
WO-2022203427-A1 ADENOSINE DERIVATIVE HAVING ANTAGONISTIC ACTION ON A2A AND A3 ADENOSINE RECEPTORS AND METHOD FOR PREPARING SAME 퓨쳐메디신 주식회사 2022-09-29 — — 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 (1 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-20240199679-A1 ADENOSINE DERIVATIVE HAVING ANTAGONISTIC ACTION ON A2A AND A3 ADENOSINE RECEPTORS AND METHOD FOR PREPARING SAME ADORA2A, ADORA3, ADORA2B DHODH 3464/4885ADORA2A 1/4885ADORA1 4/4885

“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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