SCHEMBL23927313

SCHEMBL23927313

[CH2][C@H](CC)Nc1nc(N(CC)Cc2ccccc2)c2ncn(C(C)C)c2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 17/20 0.55
▸ CDK2 P24941 15/20 0.55
▸ CDK7 P50613 14/20 0.55
▸ CCNE1 P24864 13/20 0.55
▸ CCNB1 P14635 11/20 0.55
▸ CCNH P51946 11/20 0.55
▸ CDK4 P11802 10/20 0.55
▸ CCND1 P24385 10/20 0.55
▸ MAPK1 P28482 6/20 0.55
▸ CDK5 Q00535 8/20 0.54
▸ CDK9 P50750 4/20 0.54
▸ CSNK1D P48730 2/20 0.54
▸ CLK2 P49760 2/20 0.54
▸ CSNK1G2 P78368 2/20 0.54
▸ DYRK1A Q13627 2/20 0.54
▸ CLK4 Q9HAZ1 2/20 0.54
▸ CSNK1G1 Q9HCP0 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54

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
SCHEMBL19112165 0.86 CDK1 (0.70) CDK1CDK2CDK7CCNE1CCNB1
SCHEMBL19112159 0.86 CDK1 (0.70) CDK1CDK2CDK7CCNE1CCNB1
SCHEMBL34470227 0.86 CDK1 (0.70) CDK1CDK2CDK7CCNE1CCNB1
SCHEMBL30356164 0.86 CDK1 (0.70) CDK1CDK2CDK7CCNE1CCNB1
Hydrochloric Acid SCHEMBL30268952 0.85 CDK1 (0.69) CDK1CDK2CDK7CCNE1CCNB1
Hydrochloric Acid SCHEMBL23927314 0.85 CDK1 (0.69) CDK1CDK2CDK7CCNE1CCNB1
Hydrochloric Acid SCHEMBL23927312 0.85 CDK1 (0.69) CDK1CDK2CDK7CCNE1CCNB1
SCHEMBL23927311 0.84 NPSR1 (0.54) CDK1CDK2CDK7CCNE1CCNB1
SCHEMBL16322125 0.82 KDM4E (0.79) CDK1CDK2CDK7CCNE1CCNB1
SCHEMBL19112201 0.80 CDK1 (0.67) CDK1CDK2CDK7CCNE1CCNB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139308-B1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2024-07-17 — — EP disclosed
US-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-06-15 — — US disclosed
EP-4139308-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2023-03-01 — — EP disclosed
WO-2021214315-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2021-10-28 — — WO disclosed
EP-3901154-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2021-10-27 — — EP 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 (1 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-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES ADORA1, OXGR1, ADORA2A CDK1 981/4885CDK2 1842/4885CDK7 2096/4885

“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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