SCHEMBL19112102

SCHEMBL19112102

CC(C)n1cnc2c(N(C)c3ccccc3)nc(NCCO)nc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 11/20 0.63
▸ CDK2 P24941 9/20 0.63
▸ CDK5 Q00535 4/20 0.63
▸ CSNK1D P48730 1/20 0.63
▸ CLK2 P49760 1/20 0.63
▸ DYRK1A Q13627 1/20 0.63
▸ HIPK4 Q8NE63 1/20 0.63
▸ SRPK1 Q96SB4 1/20 0.63
▸ CLK4 Q9HAZ1 1/20 0.63
▸ NPSR1 Q6W5P4 2/20 0.58
▸ CCNB1 P14635 7/20 0.56
▸ CCNB2 O95067 4/20 0.56
▸ CCNB3 Q8WWL7 4/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ CCNE1 P24864 4/20 0.55
▸ MAPT P10636 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ MDM2 Q00987 1/20 0.54
▸ CDK5R1 Q15078 3/20 0.53
▸ NPC1 O15118 2/20 0.53

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
SCHEMBL23961642 0.90 TDP1 (0.55) CDK1CDK2CDK5CSNK1DCLK2
SCHEMBL22651961 0.85 NPSR1 (0.70) CDK1CDK2CDK5CSNK1DCLK2
SCHEMBL19112178 0.82 NPSR1 (0.67) CDK1CDK2CDK5CSNK1DCLK2
SCHEMBL15387124 0.82 NPSR1 (0.67) CDK1CDK2CDK5CSNK1DCLK2
SCHEMBL30356263 0.82 NPSR1 (0.67) CDK1CDK2CDK5CSNK1DCLK2
SCHEMBL19112192 0.82 NPSR1 (0.67) CDK1CDK2CDK5CSNK1DCLK2
Hydrochloric Acid SCHEMBL30268945 0.82 NPSR1 (0.66) CDK1CDK2CDK5CSNK1DCLK2
Hydrochloric Acid SCHEMBL23927317 0.82 NPSR1 (0.66) CDK1CDK2CDK5CSNK1DCLK2
Hydrochloric Acid SCHEMBL23927315 0.82 NPSR1 (0.66) CDK1CDK2CDK5CSNK1DCLK2
SCHEMBL23927311 0.80 NPSR1 (0.54) CDK1CDK2CDK5CSNK1DCLK2

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 6 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
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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