SCHEMBL4062147

SCHEMBL4062147

COc1ccc(-c2cnc3nc(N)nc(Nc4cccc(Br)c4)c3c2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.61
ABCG2 Q9UNQ0 5/20 0.57
ABCB1 P08183 1/20 0.57
ABCC1 P33527 1/20 0.57
TNF P01375 1/20 0.50
KDR P35968 4/20 0.49
PDGFRB P09619 3/20 0.49
FLT1 P17948 1/20 0.49
FBP1 P09467 2/20 0.49
ERBB2 P04626 3/20 0.47
BRAF P15056 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAK O14976 1/20 0.47
MAPK13 O15264 1/20 0.47
ABL1 P00519 1/20 0.47
CYP1A2 P05177 1/20 0.47
CDK1 P06493 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL4355114 0.86 EGFR (0.76) EGFRABCG2ABCB1ABCC1TNF
SCHEMBL4066551 0.82 ABCG2 (0.51) EGFRABCG2ABCB1ABCC1TNF
SCHEMBL4122229 0.80 PIK3CA (0.47) BRAFMAPT
SCHEMBL4064225 0.78 PIK3CA (0.47) PDGFRB
SCHEMBL4349743 0.78 EGFR (0.70) EGFRABCG2ABCB1ABCC1TNF
SCHEMBL18041206 0.77 EGFR (0.62) EGFRABCG2ABCB1ABCC1KDR
SCHEMBL4074235 0.76 NOS1 (0.48) PDGFRB
SCHEMBL4069149 0.76 APP (0.58) EGFRKDRKDM4EMAPT
SCHEMBL4357104 0.76 EGFR (0.60) EGFRABCG2ABCB1KDRPDGFRB
SCHEMBL4071579 0.75 EGFR (0.55) EGFRKDM4EMAPTMAPK1

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 3613/4885ABCG2 2428/4885ABCB1 2045/4885

“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.