SCHEMBL4065986

SCHEMBL4065986

CCOc1nc(N)nc2ncc(-c3ccc(F)cc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.48
MTOR P42345 2/20 0.42
DHFR P00374 3/20 0.41
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
CHRNA7 P36544 1/20 0.38
NR3C1 P04150 1/20 0.38
FYN P06241 1/20 0.38
MPO P05164 1/20 0.38

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) PIK3CAMTORDHFRCCNT1CCNA2
SCHEMBL3337583 0.82 MAP4K4 (0.47) PIK3CAMTORDHFR
SCHEMBL4408579 0.77 NOS1 (0.50) PIK3CAMPO
SCHEMBL4064081 0.76 CHRNA7 (0.41) PIK3CAMTORCCNT1CCNA2CDK2
SCHEMBL655418 0.73 PIK3CA (0.45) PIK3CAMTORDHFR
SCHEMBL3785844 0.72 MPO (0.43) DHFRMPO
SCHEMBL3335372 0.72 ADORA2A (0.45) PIK3CAMTORDHFRCCNA2CDK2
SCHEMBL3336378 0.71 SCN9A (0.47) PIK3CAMTORCCNA2CDK2
SCHEMBL3764208 0.71 PIK3CG (0.49) PIK3CAMPO
SCHEMBL3755253 0.71 GRIN2B (0.39) PIK3CADHFRMPO

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 PIK3CA 1151/4885MTOR 1681/4885DHFR 26/4885

“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.