SCHEMBL4065231

SCHEMBL4065231

COc1ccc(-c2cnc3nc(NC(=O)C(C)(C)C)nc(NC(C)c4ccccc4)c3c2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.49
PIK3CA P42336 1/20 0.49
ATP1A1 P05023 1/20 0.44
ATP1B1 P05026 1/20 0.44
ATP1A3 P13637 1/20 0.44
ATP1B2 P14415 1/20 0.44
ATP1A2 P50993 1/20 0.44
ATP1B3 P54709 1/20 0.44
FXYD2 P54710 1/20 0.44
ATP1A4 Q13733 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
SOS1 Q07889 3/20 0.43
AAK1 Q2M2I8 5/20 0.43
PLK1 P53350 1/20 0.43
KRAS P01116 2/20 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
SCHEMBL4066056 0.89 IDO1 (0.44) AAK1DYRK1ADYRK1BIDO1TDO2
SCHEMBL4067399 0.83 ACHE (0.51) KDM4EALDH1A1MAPTHPGDAAK1
SCHEMBL4065230 0.82 ACHE (0.52) AAK1MAPK1
SCHEMBL4071579 0.82 EGFR (0.55) EGFRPIK3CAATP1A1ATP1B1ATP1A3
SCHEMBL4065976 0.80 AURKB (0.42) AAK1DYRK1ADYRK1BIDO1TDO2
SCHEMBL4066551 0.79 ABCG2 (0.51) EGFRKDM4EMAPTDYRK1ADYRK1B
SCHEMBL4065227 0.77 AAK1 (0.43) EGFRPIK3CAAAK1DYRK1ADYRK1B
SCHEMBL4069816 0.74 NOS1 (0.46) KDM4EALDH1A1MAPTHPGDAAK1
SCHEMBL4062926 0.74 AAK1 (0.46) AAK1DYRK1ADYRK1BIDO1TDO2
SCHEMBL4071736 0.73 GAK (0.51) ALDH1A1MAPTHPGDGAK

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
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
EP-1851217-A1 SUBSTITUTED PYRIDO(2,3-D)PYRIMIDINE DERIVATIVES USEFUL AS MEDICINES FOR THE TREATMENT OF AUTOIMMUNE DISORDERS 4 AZA IP NV (BE) 2007-11-07 EP disclosed
WO-2006087229-A1 SUBSTITUTED PYRIDO (2 , 3-D) PYRIMIDINE DERIVATIVES USEFUL AS MEDICINES FOR THE TREATMENT OF AUTOIMMUNE DISORDERS 4 AZA IP NV (BE) 2006-08-24 WO 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 EGFR 3613/4885PIK3CA 1151/4885ATP1A1 3324/4885

“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.