SCHEMBL5124422

SCHEMBL5124422

Cc1ccc(F)c(NC(=O)Nc2ccc3nc(-c4cn(C5CCCC5)c5ncnc(N)c45)oc3c2)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.63
ERBB2 P04626 7/20 0.63
ERBB3 P21860 7/20 0.63
ERBB4 Q15303 7/20 0.63
TEK Q02763 6/20 0.63
NEK7 Q8TDX7 10/20 0.49
FLT3 P36888 2/20 0.49
KDR P35968 1/20 0.47
RIPK2 O43353 2/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
SRC P12931 1/20 0.46
SIK1 P57059 1/20 0.46
RIPK4 P57078 1/20 0.46
DDR1 Q08345 1/20 0.46
RIPK1 Q13546 1/20 0.46
DSTYK Q6XUX3 1/20 0.46
RIPK3 Q9Y572 1/20 0.46
PIKFYVE Q9Y2I7 1/20 0.45

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
SCHEMBL5109427 0.90 EGFR (0.64) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL5110507 0.89 EGFR (0.56) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL5115740 0.87 EGFR (0.72) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL5109567 0.84 EGFR (0.77) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL5118231 0.84 TEK (0.63) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL5110509 0.83 EGFR (0.55) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940963 0.77 EGFR (1.00) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL5112748 0.77 EGFR (0.79) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940504 0.76 EGFR (0.97) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL5125107 0.75 EGFR (0.86) EGFRERBB2ERBB3ERBB4TEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435739-B2 Substituted pyrrolopyrimidines useful in the treatment of cancer CHEN JINSHAN 2008-10-14 US claimed
JP-2007511596-A 2007-05-10 JP claimed
EP-1687309-A1 PYRROLOPYRIMIDINE COMPOUNDS USEFUL IN TREATMENT OF CANCER Pfizer Products Inc. (US) 2006-08-09 EP claimed
US-20050130994-A1 Pyrrolopyre compounds useful in treatment of cancer PFIZER INC 2005-06-16 US claimed
WO-2005047289-A1 PYRROLOPYRIMIDINE COMPOUNDS USEFUL IN TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2005-05-26 WO claimed
US-7435739-B2 Substituted pyrrolopyrimidines useful in the treatment of cancer CHEN JINSHAN 2008-10-14 US disclosed
EP-1687309-A1 PYRROLOPYRIMIDINE COMPOUNDS USEFUL IN TREATMENT OF CANCER Pfizer Products Inc. (US) 2006-08-09 EP disclosed
US-20050130994-A1 Pyrrolopyre compounds useful in treatment of cancer PFIZER INC 2005-06-16 US disclosed
WO-2005047289-A1 PYRROLOPYRIMIDINE COMPOUNDS USEFUL IN TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2005-05-26 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-20050130994-A1 Pyrrolopyre compounds useful in treatment of cancer TP53, CCNT1, CCNE1 EGFR 2127/4885ERBB2 2484/4885ERBB3 2312/4885

“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.