SCHEMBL19575472

SCHEMBL19575472

C[C@@H](NC(=O)OCCCCn1cnc2c(N)ncnc21)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 4/20 0.46
▸ ADORA2A P29274 4/20 0.45
▸ NSD3 Q9BZ95 2/20 0.45
▸ NSD2 O96028 1/20 0.45
▸ ADCY1 Q08828 1/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40

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
SCHEMBL26212056 1.00 ADCY5 (0.46) ADCY5ADORA2ANSD3NSD2ADCY1
SCHEMBL19575394 0.90 NSD3 (0.53) ADCY5ADORA2ANSD3NSD2ADORA1
SCHEMBL20974516 0.90 NSD3 (0.53) ADCY5ADORA2ANSD3NSD2ADORA1
SCHEMBL19575471 0.90 NSD3 (0.53) ADCY5ADORA2ANSD3NSD2ADORA1
SCHEMBL20972815 0.89 ADCY5 (0.51) ADCY5ADORA2ANSD3ADORA1LMNA
SCHEMBL19575403 0.89 ADCY5 (0.51) ADCY5ADORA2ANSD3ADORA1LMNA
SCHEMBL20973538 0.85 LMNA (0.53) ADCY5ADORA2ANSD3ADORA1LMNA
SCHEMBL26220109 0.84 ADORA2A (0.46) ADCY5ADORA2ANSD3NSD2ADCY1
SCHEMBL20975139 0.83 NSD3 (0.57) ADCY5ADORA2ANSD3NSD2LMNA
SCHEMBL19575401 0.82 YTHDC1 (0.37) LMNASMN1; SMN2ALDH1A1

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 ADCY5 718/4885ADORA2A 195/4885NSD3 942/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 ADCY5 718/4885ADORA2A 195/4885NSD3 942/4885

“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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