SCHEMBL19575642

SCHEMBL19575642

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SERPINA3 P01011 1/20 0.47
▸ ADORA2A P29274 6/20 0.40
▸ ADORA1 P30542 5/20 0.40
▸ TMIGD3 P0DMS9 4/20 0.40
▸ ADORA2B P29275 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CTSL P07711 1/20 0.36
▸ FAAH O00519 3/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL26212252 1.00 SERPINA3 (0.47) SERPINA3ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL19575371 0.92 TMIGD3 (0.41) SERPINA3ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL26212223 0.92 TMIGD3 (0.41) SERPINA3ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL26212539 0.90 HDAC1 (0.42) SERPINA3ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL19575639 0.90 HDAC1 (0.42) SERPINA3ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL26212177 0.87 ADORA2A (0.49) ADORA2AADORA1ADORA2BALDH1A1SMN1; SMN2
SCHEMBL19574920 0.87 ADORA2A (0.49) ADORA2AADORA1ADORA2BALDH1A1SMN1; SMN2
SCHEMBL20975164 0.87 HDAC1 (0.43) SERPINA3ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL26224146 0.84 ALDH1A1 (0.37) ADORA2AADORA1TMIGD3ALDH1A1HTT
SCHEMBL19575392 0.81 ALDH1A1 (0.39) ALDH1A1HTTFAAHNPC1RAB9A

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 SERPINA3 4199/4885ADORA2A 195/4885ADORA1 148/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 SERPINA3 4199/4885ADORA2A 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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