SCHEMBL5116576

SCHEMBL5116576

Cc1cccc(NC(=O)Nc2ccc3nc(-c4cn(C5CCCC5)c5ncnc(N)c45)sc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.56
TEK Q02763 9/20 0.56
ERBB2 P04626 8/20 0.56
ERBB3 P21860 8/20 0.56
ERBB4 Q15303 8/20 0.56
FLT3 P36888 4/20 0.51
KDR P35968 6/20 0.50
RIPK2 O43353 1/20 0.47
AURKA O14965 3/20 0.47
AURKB Q96GD4 2/20 0.47
IKBKE Q14164 1/20 0.47
ABL1 P00519 5/20 0.47
SRC P12931 5/20 0.47
ABL2 P42684 4/20 0.47
NTRK1 P04629 3/20 0.47
LCK P06239 3/20 0.47
LYN P07948 3/20 0.47
RET P07949 3/20 0.47
FGFR1 P11362 3/20 0.47
FLT1 P17948 3/20 0.47

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
SCHEMBL5117055 0.90 EGFR (0.55) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5118231 0.89 TEK (0.63) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5123170 0.89 EGFR (0.72) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5113051 0.88 EGFR (0.64) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5110507 0.83 EGFR (0.56) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5123455 0.83 EGFR (0.80) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL1940004 0.78 EGFR (0.82) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5108648 0.76 EGFR (0.78) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL1939673 0.76 EGFR (0.80) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5113943 0.75 EGFR (0.82) 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 4 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
US-20050130994-A1 Pyrrolopyre compounds useful in treatment of cancer PFIZER INC 2005-06-16 US 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.