SCHEMBL19575466

SCHEMBL19575466

C[C@@H](NC(=O)OCCCCn1cnc2c(N)nc(N)nc21)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.40
▸ CCNB1 P14635 2/20 0.40
▸ CCNE1 P24864 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ NSD2 O96028 1/20 0.38
▸ NSD3 Q9BZ95 1/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ NR3C1 P04150 2/20 0.36
▸ HK1 P19367 1/20 0.36
▸ HKDC1 Q2TB90 1/20 0.36
▸ ADCY5 O95622 3/20 0.36
▸ SERPINA3 P01011 1/20 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
SCHEMBL26212075 1.00 CDK1 (0.40) CDK1CCNB1CCNE1CDK2CYP1A2
SCHEMBL19575471 0.88 NSD3 (0.53) NSD2NSD3ADCY5
SCHEMBL20974516 0.88 NSD3 (0.53) NSD2NSD3ADCY5
SCHEMBL19575394 0.88 NSD3 (0.53) NSD2NSD3ADCY5
SCHEMBL26217256 0.85 NR3C1 (0.38) NSD2NSD3NR3C1ADCY5HRH4
SCHEMBL19575372 0.83 HDAC1 (0.53) CDK1CCNB1CCNE1CDK2CYP1A2
SCHEMBL26224018 0.82 P2RY1 (0.42) CCNE1CDK2
SCHEMBL20973538 0.80 LMNA (0.53) NSD3ADCY5
SCHEMBL19575371 0.79 TMIGD3 (0.41) CDK1CCNB1CCNE1CDK2CYP2C19
SCHEMBL26212223 0.79 TMIGD3 (0.41) CDK1CCNB1CCNE1CDK2CYP2C19

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 CDK1 18/4885CCNB1 604/4885CCNE1 580/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 CDK1 18/4885CCNB1 604/4885CCNE1 580/4885

“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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