SCHEMBL4070165

SCHEMBL4070165

CCC(C)Oc1nc(N)nc2ncc(-c3ccc(OC)c(OC)c3)cc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAK O14976 1/20 0.51
PIK3CA P42336 4/20 0.45
NOS1 P29475 3/20 0.45
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
DYRK1A Q13627 3/20 0.43
DYRK1B Q9Y463 2/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
KIT P10721 3/20 0.42
FYN P06241 1/20 0.42

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
Hydrochloric Acid SCHEMBL4240225 0.99 GAK (0.50) GAKPIK3CANOS1CDK1CCNB1
SCHEMBL4070207 0.89 GAK (0.48) GAKPIK3CANOS1DYRK1ADYRK1B
SCHEMBL4063917 0.85 PIK3CA (0.54) PIK3CANOS1DYRK1ADYRK1BPDGFRB
SCHEMBL3339666 0.84 GAK (0.47) GAKPIK3CACDK1CCNB1CCNA2
SCHEMBL4064225 0.77 PIK3CA (0.47) PIK3CANOS1DYRK1ADYRK1BPDGFRB
SCHEMBL4074235 0.75 NOS1 (0.48) PIK3CANOS1DYRK1ADYRK1BPDGFRB
SCHEMBL4064282 0.75 PIK3CA (0.53) GAKPIK3CA
SCHEMBL4071679 0.73 NOS1 (0.69) GAKPIK3CANOS1DYRK1ADYRK1B
SCHEMBL3336449 0.73 PIK3CA (0.53) GAKPIK3CA
SCHEMBL4069464 0.73 PIK3CA (0.47) 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 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-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

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 GAK 1115/4885PIK3CA 1151/4885NOS1 244/4885

“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.