SCHEMBL19112167

SCHEMBL19112167

CC(C)n1cnc2c(N(C)Cc3ccc(F)cc3)nc(NC3CCNCC3)nc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 18/20 0.53
▸ CDK2 P24941 18/20 0.53
▸ CCNE2 O96020 17/20 0.53
▸ CCNA2 P20248 16/20 0.53
▸ CCNA1 P78396 16/20 0.53
▸ CCNT1 O60563 1/20 0.45
▸ CCNT2 O60583 1/20 0.45
▸ CDK9 P50750 1/20 0.45
▸ CLK1 P49759 2/20 0.44
▸ CLK2 P49760 2/20 0.44
▸ CLK4 Q9HAZ1 2/20 0.44
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43

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
SCHEMBL19112204 0.79 CDK2 (0.43) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL19111920 0.77 CDK1 (0.46) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL23992724 0.76 CDK1 (0.57) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL22651959 0.76 CDK1 (0.57) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL19112198 0.76 CDK1 (0.57) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL30822737 0.74 CLK1 (0.58) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL6751476 0.70 CCNE2 (0.48) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL6751475 0.70 CCNE2 (0.48) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL30822749 0.69 CLK1 (0.67) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL6824059 0.68 FLT3 (0.58) CCNE1CDK2CCNE2CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-11472807-B2 Purine derivatives for use as medicament and for use in treating neurodegenerative or neuro-inflammatory disorders Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2022-10-18 — — US 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
US-20200354364-A1 PURINE DERIVATIVES FOR USE AS MEDICAMENT AND FOR USE IN TREATING NEURODEGENERATIVE OR NEURO-INFLAMMATORY DISORDERS Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2020-11-12 — — US disclosed
EP-2664619-B1 Purine derivatives as tools for screening anti-Alzheimer compounds MANROS THERAPEUTICS (FR) 2017-07-12 — — 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 (3 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 CCNE1 2397/4885CDK2 1842/4885CCNE2 3110/4885
US-11472807-B2 Purine derivatives for use as medicament and for use in treating neurodegenerative or neuro-inflammatory disorders TPMT, ADORA2A, PNP CCNE1 4732/4885CDK2 3765/4885CCNE2 4742/4885
US-20200354364-A1 PURINE DERIVATIVES FOR USE AS MEDICAMENT AND FOR USE IN TREATING NEURODEGENERATIVE OR NEURO-INFLAMMATORY DISORDERS TPMT, ADORA2A, PNP CCNE1 4732/4885CDK2 3765/4885CCNE2 4742/4885

“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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