SCHEMBL19575371

SCHEMBL19575371

CCC[C@@H](NC(=O)OCCCCn1cnc2c(N)nc(N)nc21)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMIGD3 P0DMS9 3/20 0.41
▸ ADORA2A P29274 3/20 0.41
▸ ADORA1 P30542 3/20 0.41
▸ CDK1 P06493 2/20 0.41
▸ CCNB1 P14635 2/20 0.41
▸ CCNE1 P24864 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ CYP2C19 P33261 1/20 0.39
▸ SLC29A1 Q99808 2/20 0.38
▸ SERPINA3 P01011 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HINT1 P49773 2/20 0.37
▸ CTSL P07711 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL26212223 1.00 TMIGD3 (0.41) TMIGD3ADORA2AADORA1CDK1CCNB1
SCHEMBL26212539 0.92 HDAC1 (0.42) TMIGD3ADORA2AADORA1HDAC1ADORA2B
SCHEMBL19575639 0.92 HDAC1 (0.42) TMIGD3ADORA2AADORA1HDAC1ADORA2B
SCHEMBL26212252 0.92 SERPINA3 (0.47) TMIGD3ADORA2AADORA1HDAC1ADORA2B
SCHEMBL19575642 0.92 SERPINA3 (0.47) TMIGD3ADORA2AADORA1HDAC1ADORA2B
SCHEMBL26212177 0.89 ADORA2A (0.49) ADORA2AADORA1ADORA2BALDH1A1SMN1; SMN2
SCHEMBL19574920 0.89 ADORA2A (0.49) ADORA2AADORA1ADORA2BALDH1A1SMN1; SMN2
SCHEMBL20975164 0.88 HDAC1 (0.43) TMIGD3ADORA2AADORA1HDAC1ADORA2B
SCHEMBL26224146 0.85 ALDH1A1 (0.37) TMIGD3ADORA2AADORA1ALDH1A1HTT
SCHEMBL19575392 0.82 ALDH1A1 (0.39) HDAC1CYP2C19ALDH1A1HTTFAAH

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-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 — — EP disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 — — US disclosed
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 — — US disclosed
WO-2017191297-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS BCI PHARMA (FR) 2017-11-09 — — 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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 TMIGD3 4632/4885ADORA2A 195/4885ADORA1 148/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 TMIGD3 4632/4885ADORA2A 195/4885ADORA1 148/4885

“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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