SCHEMBL5113801

SCHEMBL5113801

COc1ccccc1NC(=O)Nc1ccc2nc(-c3cn(C4CCCC4)c4ncnc(N)c34)[nH]c2c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.73
TEK Q02763 10/20 0.73
ERBB2 P04626 8/20 0.73
ERBB3 P21860 8/20 0.73
ERBB4 Q15303 8/20 0.73
LCK P06239 3/20 0.49
KDR P35968 3/20 0.49
FLT3 P36888 1/20 0.48
SRC P12931 5/20 0.46
ABL1 P00519 4/20 0.46
ABL2 P42684 4/20 0.46
RET P07949 2/20 0.45
NEK7 Q8TDX7 1/20 0.44

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
SCHEMBL5118382 0.93 TEK (0.72) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5116306 0.92 EGFR (0.69) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5123284 0.91 EGFR (0.77) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5117264 0.90 EGFR (0.75) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5113943 0.90 EGFR (0.82) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5125226 0.89 EGFR (0.76) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5125107 0.89 EGFR (0.86) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5108648 0.87 EGFR (0.78) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5123455 0.87 EGFR (0.80) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5112748 0.86 EGFR (0.79) EGFRTEKERBB2ERBB3ERBB4

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
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
US-20050130994-A1 Pyrrolopyre compounds useful in treatment of cancer PFIZER INC 2005-06-16 US 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 2127/4885TEK 2316/4885ERBB2 2484/4885

“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.