SCHEMBL19112201

SCHEMBL19112201

CCCN(Cc1ccccc1)c1nc(N[C@H](CC)CO)nc2c1ncn2C(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 13/20 0.67
▸ CDK2 P24941 12/20 0.67
▸ CDK5 Q00535 11/20 0.67
▸ CCNE1 P24864 8/20 0.67
▸ CCNB1 P14635 7/20 0.67
▸ CDK7 P50613 6/20 0.67
▸ DYRK1A Q13627 5/20 0.67
▸ CCNA2 P20248 5/20 0.67
▸ CCNA1 P78396 5/20 0.67
▸ CDK5R1 Q15078 5/20 0.67
▸ CDK9 P50750 4/20 0.67
▸ CCNK O75909 4/20 0.67
▸ CDK12 Q9NYV4 4/20 0.67
▸ CCNB2 O95067 4/20 0.67
▸ CDK4 P11802 4/20 0.67
▸ CCND1 P24385 4/20 0.67
▸ MAPK1 P28482 4/20 0.67
▸ CCNH P51946 4/20 0.67
▸ CCNB3 Q8WWL7 4/20 0.67
▸ CSNK1D P48730 2/20 0.67

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
SCHEMBL23992709 1.00 CDK1 (0.67) CDK1CDK2CDK5CCNE1CCNB1
SCHEMBL19112159 0.94 CDK1 (0.70) CDK1CDK2CDK5CCNE1CCNB1
SCHEMBL30356164 0.94 CDK1 (0.70) CDK1CDK2CDK5CCNE1CCNB1
SCHEMBL34470227 0.94 CDK1 (0.70) CDK1CDK2CDK5CCNE1CCNB1
SCHEMBL19112165 0.94 CDK1 (0.70) CDK1CDK2CDK5CCNE1CCNB1
Hydrochloric Acid SCHEMBL30268952 0.93 CDK1 (0.69) CDK1CDK2CDK5CCNE1CCNB1
Hydrochloric Acid SCHEMBL23927314 0.93 CDK1 (0.69) CDK1CDK2CDK5CCNE1CCNB1
Hydrochloric Acid SCHEMBL23927312 0.93 CDK1 (0.69) CDK1CDK2CDK5CCNE1CCNB1
SCHEMBL23752348 0.88 CDK1 (0.67) CDK1CDK2CDK5CCNE1CCNB1
SCHEMBL19111944 0.88 CDK1 (0.67) CDK1CDK2CDK5CCNE1CCNB1

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 CDK1 981/4885CDK2 1842/4885CDK5 1097/4885
US-11472807-B2 Purine derivatives for use as medicament and for use in treating neurodegenerative or neuro-inflammatory disorders TPMT, ADORA2A, PNP CDK1 2687/4885CDK2 3765/4885CDK5 1217/4885
US-20200354364-A1 PURINE DERIVATIVES FOR USE AS MEDICAMENT AND FOR USE IN TREATING NEURODEGENERATIVE OR NEURO-INFLAMMATORY DISORDERS TPMT, ADORA2A, PNP CDK1 2687/4885CDK2 3765/4885CDK5 1217/4885

“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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