SCHEMBL4067795

SCHEMBL4067795

CC(C)Oc1nc(N)nc2ncc(-c3cccs3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.43
PIK3CA P42336 5/20 0.42
MTOR P42345 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
DHFR P00374 1/20 0.38
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
CHEK1 O14757 2/20 0.37
CHEK2 O96017 1/20 0.37
ADK P55263 2/20 0.36
NEK2 P51955 1/20 0.36
MGMT P16455 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL4063287 0.78 HDAC1 (0.43) PDGFRBPDGFRAHDAC1HDAC2ADORA2A
SCHEMBL4063201 0.77 PIK3CA (0.47) PIK3CAMTORPDGFRBPDGFRACCNA2
SCHEMBL4070053 0.77 PIK3CA (0.48) CLK1PIK3CAMTORCCNA2CDK2
SCHEMBL4069464 0.76 PIK3CA (0.47) PIK3CAMTORCCNA2CDK2CCNA1
SCHEMBL4063097 0.75 PIK3CA (0.44) PIK3CAPDGFRBPDGFRACCNA2CDK2
SCHEMBL4070207 0.74 GAK (0.48) PIK3CAPDGFRBPDGFRA
SCHEMBL4068513 0.73 CDK1 (0.48) PIK3CAPDGFRACCNA2CDK2CCNA1
SCHEMBL4392059 0.67 CDK1 (0.41) PIK3CACCNA2CDK2CCNA1CDK1
SCHEMBL3336195 0.67 ADORA2A (0.45) PDGFRBPDGFRACCNA2CDK2CCNA1
SCHEMBL3760413 0.66 PIK3CG (0.45) PIK3CADHFR

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 8 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-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 claimed
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 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 CLK1 2199/4885PIK3CA 1151/4885MTOR 1681/4885

“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.