SCHEMBL5788331

SCHEMBL5788331

NC1C2CN(c3cc4c(Nc5ccc(Oc6ccccc6)c(Cl)c5)ncnc4cn3)CC12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.52
EGFR P00533 15/20 0.52
ERBB4 Q15303 9/20 0.52
ERBB3 P21860 8/20 0.52
CHEK2 O96017 1/20 0.47
PRKCG P05129 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
LYN P07948 1/20 0.47
SRC P12931 1/20 0.47
FLT3 P36888 1/20 0.47
BLK P51451 1/20 0.47
PRKCD Q05655 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47
GRM1 Q13255 1/20 0.42
RIPK2 O43353 1/20 0.42
EPHB2 P29323 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
SCHEMBL5789204 0.92 EGFR (0.45) ERBB2EGFRERBB4ERBB3CHEK2
SCHEMBL5788261 0.90 ERBB2 (0.54) ERBB2EGFRERBB4ERBB3CHEK2
SCHEMBL6288116 0.87 EGFR (0.49) ERBB2EGFRERBB4CHEK2PRKCG
SCHEMBL5788156 0.82 ERBB2 (0.50) ERBB2EGFRERBB4ERBB3CHEK2
SCHEMBL5786009 0.81 EGFR (0.50) ERBB2EGFRERBB4ERBB3CHEK2
SCHEMBL5788794 0.80 ERBB2 (0.53) ERBB2EGFRERBB4ERBB3CHEK2
SCHEMBL5785992 0.80 ERBB2 (0.50) ERBB2EGFRERBB4ERBB3
SCHEMBL5786193 0.80 ERBB2 (0.55) ERBB2EGFRERBB4ERBB3
SCHEMBL5787215 0.80 ERBB2 (0.45) ERBB2EGFRERBB4ERBB3LCK
SCHEMBL5787543 0.79 EGFR (0.71) ERBB2EGFRERBB4CHEK2PRKCG

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 7 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-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 ERBB2 389/4885EGFR 630/4885ERBB4 158/4885

“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.