SCHEMBL4065873

SCHEMBL4065873

Cc1cccc(Nc2nc(N)nc3ncc(Br)cc23)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
EGFR P00533 9/20 0.48
BRAF P15056 2/20 0.48
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
ERBB2 P04626 1/20 0.45
AURKA O14965 1/20 0.44
PDGFRB P09619 1/20 0.43
DHFR P00374 1/20 0.43
KDR P35968 2/20 0.43
FLT1 P17948 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NOD1 Q9Y239 1/20 0.43
ABCB1 P08183 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL4072496 0.81 BRAF (0.47) EGFRBRAFMAPTTP53ERBB2
SCHEMBL13620919 0.81 MAPK1 (0.64) MAPK1EGFRMAPTTP53ERBB2
SCHEMBL4064191 0.78 SYK (0.46) MAPK1EGFRMAPTTP53ERBB2
SCHEMBL14992584 0.74 MAPT (0.69) EGFRMAPTTP53ERBB2ABCB1
SCHEMBL12065998 0.72 EGFR (0.52) MAPK1EGFRMAPTTP53ERBB2
SCHEMBL4062147 0.72 EGFR (0.61) MAPK1EGFRBRAFMAPTERBB2
SCHEMBL17022105 0.71 PIK3CA (0.55) MAPK1MAPTAURKADHFRKDR
SCHEMBL13631917 0.70 EGFR (0.53) MAPK1EGFRMAPTTP53ERBB2
SCHEMBL12227606 0.68 EGFR (0.51) MAPK1EGFRBRAFMAPTTP53
SCHEMBL30163053 0.68 EGFR (0.51) MAPK1EGFRBRAFMAPTTP53

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-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

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 MAPK1 1351/4885EGFR 3613/4885BRAF 775/4885

“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.