SCHEMBL23927311

SCHEMBL23927311

[CH2][C@H](CC)Nc1nc(N(C)c2ccccc2)c2ncn(C(C)C)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.54
▸ MAPK1 P28482 7/20 0.53
▸ MAPT P10636 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ MDM2 Q00987 1/20 0.53
▸ CDK2 P24941 15/20 0.50
▸ CDK1 P06493 15/20 0.50
▸ CDK7 P50613 14/20 0.50
▸ CCNE1 P24864 13/20 0.50
▸ CCNB1 P14635 11/20 0.50
▸ CCNH P51946 11/20 0.50
▸ CDK4 P11802 10/20 0.50
▸ CCND1 P24385 10/20 0.50
▸ CDK5 Q00535 6/20 0.48
▸ CDK9 P50750 4/20 0.48
▸ CSNK1D P48730 2/20 0.48
▸ CLK2 P49760 2/20 0.48
▸ CSNK1G2 P78368 2/20 0.48
▸ DYRK1A Q13627 2/20 0.48
▸ CLK4 Q9HAZ1 2/20 0.48

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
SCHEMBL30356263 0.86 NPSR1 (0.67) NPSR1MAPK1CDK2CDK1CDK7
SCHEMBL19112178 0.86 NPSR1 (0.67) NPSR1MAPK1CDK2CDK1CDK7
SCHEMBL19112192 0.86 NPSR1 (0.67) NPSR1MAPK1CDK2CDK1CDK7
SCHEMBL15387124 0.86 NPSR1 (0.67) NPSR1MAPK1CDK2CDK1CDK7
SCHEMBL17004029 0.85 CDK2 (0.65) NPSR1MAPK1MAPTTDP1MDM2
Hydrochloric Acid SCHEMBL23927315 0.85 NPSR1 (0.66) NPSR1MAPK1CDK2CDK1CDK7
Hydrochloric Acid SCHEMBL23927317 0.85 NPSR1 (0.66) NPSR1MAPK1CDK2CDK1CDK7
Hydrochloric Acid SCHEMBL30268945 0.85 NPSR1 (0.66) NPSR1MAPK1CDK2CDK1CDK7
SCHEMBL22651961 0.84 NPSR1 (0.70) NPSR1MAPK1MAPTTDP1MDM2
SCHEMBL23927313 0.84 CDK1 (0.55) MAPK1MAPTTDP1CDK2CDK1

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 NPSR1 266/4885MAPK1 1840/4885MAPT 4295/4885

“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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