SCHEMBL19575663

SCHEMBL19575663

Nc1ncnc2c1ncn2CCCCOC(=O)NCc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 4/20 0.50
▸ ADORA2A P29274 5/20 0.47
▸ NSD2 O96028 2/20 0.46
▸ NSD3 Q9BZ95 2/20 0.46
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ EGFR P00533 2/20 0.44
▸ PI4KA P42356 1/20 0.43
▸ PI4K2B Q8TCG2 1/20 0.43
▸ PI4K2A Q9BTU6 1/20 0.43
▸ PI4KB Q9UBF8 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ SLC22A6 Q4U2R8 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ DOT1L Q8TEK3 1/20 0.42

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
SCHEMBL19575470 0.91 ADCY5 (0.52) ADCY5ADORA2ANSD2NSD3LMNA
SCHEMBL19575662 0.89 ADCY5 (0.50) ADCY5ADORA2ANSD2NSD3LMNA
SCHEMBL19575531 0.87 LMNA (0.50) ADCY5ADORA2ANSD2NSD3LMNA
SCHEMBL19575388 0.87 ADORA2A (0.56) ADCY5ADORA2ALMNAHPGDSMN1; SMN2
SCHEMBL19575387 0.85 NSD3 (0.55) ADCY5ADORA2ANSD2NSD3LMNA
SCHEMBL19574922 0.83 ADCY5 (0.50) ADCY5ADORA2ALMNAHPGDSMN1; SMN2
SCHEMBL19575467 0.82 ADCY5 (0.51) ADCY5ADORA2ANSD2NSD3LMNA
SCHEMBL26227860 0.81 ADORA2A (0.47) ADCY5ADORA2ANSD2NSD3LMNA
SCHEMBL20974517 0.79 EGFR (0.51) ADCY5ADORA2ALMNAHPGDSMN1; SMN2
SCHEMBL19575530 0.79 NSD3 (0.50) ADCY5ADORA2ANSD3LMNASMN1; SMN2

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 195/4885NSD2 1586/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 ADCY5 718/4885ADORA2A 195/4885NSD2 1586/4885

“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.

Send feedback