SCHEMBL5786009

SCHEMBL5786009

COc1cc(Nc2ncnc3cnc(N4CC5C(N)C5C4)cc23)ccc1Oc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.50
LCK P06239 3/20 0.49
ERBB2 P04626 3/20 0.48
ERBB4 Q15303 3/20 0.48
SRC P12931 2/20 0.48
CHEK2 O96017 1/20 0.48
PRKCG P05129 1/20 0.48
FYN P06241 1/20 0.48
LYN P07948 1/20 0.48
FLT3 P36888 1/20 0.48
BLK P51451 1/20 0.48
PRKCD Q05655 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
GAK O14976 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.45
CLK1 P49759 1/20 0.45
KDR P35968 4/20 0.44
RET P07949 3/20 0.44
RIPK2 O43353 2/20 0.43
EPHB2 P29323 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
SCHEMBL4469925 0.86 ERBB2 (0.54) EGFRLCKERBB2ERBB4SRC
SCHEMBL5788261 0.83 ERBB2 (0.54) EGFRLCKERBB2ERBB4SRC
SCHEMBL4461985 0.82 EGFR (0.60) EGFRLCKERBB2ERBB4SRC
SCHEMBL6288116 0.81 EGFR (0.49) EGFRLCKERBB2ERBB4SRC
SCHEMBL5786849 0.81 ERBB2 (0.52) EGFRERBB2BRAF
SCHEMBL5788331 0.81 ERBB2 (0.52) EGFRLCKERBB2ERBB4SRC
SCHEMBL4462956 0.81 EGFR (0.76) EGFRLCKERBB2ERBB4SRC
SCHEMBL5787543 0.81 EGFR (0.71) EGFRLCKERBB2ERBB4SRC
SCHEMBL5788156 0.80 ERBB2 (0.50) EGFRLCKERBB2ERBB4SRC
SCHEMBL4458762 0.80 EGFR (0.57) EGFRLCKERBB2ERBB4SRC

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1249451-B1 Bicyclic-substituted 4-amino-pyridopyrimidine derivatives PFIZER PROD INC (US) 2006-06-21 EP claimed
US-6927220-B2 Antiproliferative and antitumor agents PFIZER INC (US) 2005-08-09 US claimed
US-20030045535-A1 Bicyclic-substituted 4-amino-pyridopyrimidine derivatives PFIZER INC. 2003-03-06 US claimed
EP-1249451-A2 Bicyclic-substituted 4-amino-pyridopyrimidine derivatives Pfizer Products Inc. (US) 2002-10-16 EP claimed
EP-1249451-B1 Bicyclic-substituted 4-amino-pyridopyrimidine derivatives PFIZER PROD INC (US) 2006-06-21 EP disclosed
US-6927220-B2 Antiproliferative and antitumor agents PFIZER INC (US) 2005-08-09 US disclosed
US-20030045535-A1 Bicyclic-substituted 4-amino-pyridopyrimidine derivatives PFIZER INC. 2003-03-06 US disclosed
EP-1249451-A2 Bicyclic-substituted 4-amino-pyridopyrimidine derivatives Pfizer Products Inc. (US) 2002-10-16 EP 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-20030045535-A1 Bicyclic-substituted 4-amino-pyridopyrimidine derivatives CDK4, TYMP, CDK6 EGFR 630/4885LCK 1003/4885ERBB2 389/4885

“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.