SCHEMBL4069464

SCHEMBL4069464

Cc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3c2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.47
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
MTOR P42345 6/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ABL1 P00519 1/20 0.36
FLT3 P36888 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK14 Q16539 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 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
SCHEMBL4063201 0.84 PIK3CA (0.47) PIK3CACDK1CCNB1CCNA2CDK2
SCHEMBL4070207 0.83 GAK (0.48) PIK3CA
SCHEMBL4063097 0.82 PIK3CA (0.44) PIK3CACDK1CCNB1CCNA2CDK2
SCHEMBL4070053 0.81 PIK3CA (0.48) PIK3CACDK1CCNB1CCNA2CDK2
SCHEMBL4454718 0.80 PIK3CG (0.45) PIK3CACDK1CCNB1CCNA2CDK2
SCHEMBL4069457 0.77 ABL1 (0.38) ABL1MAPK14
SCHEMBL4067795 0.76 CLK1 (0.43) PIK3CACDK1CCNB1CCNA2CDK2
SCHEMBL4068513 0.75 CDK1 (0.48) PIK3CACDK1CCNB1CCNA2CDK2
SCHEMBL4070165 0.73 GAK (0.51) PIK3CACDK1CCNB1CCNA2CDK2
Hydrochloric Acid SCHEMBL4240225 0.72 GAK (0.50) PIK3CACDK1CCNB1CCNA2CDK2

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 PIK3CA 1151/4885CDK1 286/4885CCNB1 301/4885

“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.