SCHEMBL4064298

SCHEMBL4064298

CC(C)(C)C(=O)Nc1nc(N2CCCCC2)c2cc(-c3ccc(F)cc3)cnc2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.41
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
EGLN1 Q9GZT9 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP11B2 P19099 1/20 0.38
TYRO3 Q06418 1/20 0.38
MAPT P10636 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
MAPK1 P28482 2/20 0.37
ADORA1 P30542 1/20 0.37
GRIN2B Q13224 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
WNT1 P04628 1/20 0.36

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
SCHEMBL4063482 0.90 MTOR (0.44) EGLN1MAPK1ADORA1GRIN2B
SCHEMBL4069816 0.85 NOS1 (0.46) DYRK1AALDH1A1MAPTMAPK1
SCHEMBL4064081 0.77 CHRNA7 (0.41) ABL1CLK2CLK3DYRK1ATYRO3
SCHEMBL4063426 0.77 NOS1 (0.48) ALDH1A1CYP11B2HRH4
SCHEMBL4071736 0.76 GAK (0.51) ALDH1A1MAPT
SCHEMBL4073666 0.76 MAP4K1 (0.47) DYRK1AALDH1A1MAPK1
SCHEMBL4069139 0.76 ABL1 (0.40) ABL1CLK2CLK3DYRK1AALDH1A1
SCHEMBL4357385 0.75 EGLN1 (0.48) ABL1EGLN1ALDH1A1MAPT
SCHEMBL4066815 0.74 ABL1 (0.43) ABL1CLK2CLK3DYRK1ATYRO3
SCHEMBL4062163 0.73 SMN1; SMN2 (0.54) ABL1CLK2CLK3DYRK1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851217-B1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES USEFUL AS MEDICINES FOR THE TREATMENT OF AUTOIMMUNE DISORDERS 4 AZA IP NV (BE) 2009-02-11 EP claimed
US-20080312227-A1 Substituted Pyrido(2,3-D) Pyrimidine Derivatives Useful as Medicines for the Treatment of Autoimmune Disorders 4 AZA BIOSCIENCE NV (BE) 2008-12-18 US claimed
EP-1851217-B1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES USEFUL AS MEDICINES FOR THE TREATMENT OF AUTOIMMUNE DISORDERS 4 AZA IP NV (BE) 2009-02-11 EP disclosed
US-20080312227-A1 Substituted Pyrido(2,3-D) Pyrimidine Derivatives Useful as Medicines for the Treatment of Autoimmune Disorders 4 AZA BIOSCIENCE NV (BE) 2008-12-18 US 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-20080312227-A1 Substituted Pyrido(2,3-D) Pyrimidine Derivatives Useful as Medicines for the Treatment of Autoimmune Disorders PNPO, TPMT, TNF ABL1 2460/4885CLK2 2918/4885CLK3 1399/4885

“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.