SCHEMBL5117070

SCHEMBL5117070

COc1cc(C)ccc1S(=O)(=O)Nc1ccc2nc(-c3cn(C4CCCC4)c4ncnc(N)c34)[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.68
TEK Q02763 5/20 0.68
ERBB2 P04626 3/20 0.68
ERBB3 P21860 3/20 0.68
ERBB4 Q15303 3/20 0.68
EIF2AK3 Q9NZJ5 9/20 0.46
SRC P12931 5/20 0.44
ABL1 P00519 3/20 0.44
ABL2 P42684 3/20 0.44
LCK P06239 1/20 0.43
KDR P35968 1/20 0.43
FGFR4 P22455 1/20 0.40
RIPK2 O43353 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
SIK1 P57059 1/20 0.40
RIPK4 P57078 1/20 0.40
DDR1 Q08345 1/20 0.40
RIPK1 Q13546 1/20 0.40

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
SCHEMBL5110501 0.88 EGFR (0.68) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5117236 0.86 EGFR (0.72) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5116908 0.84 EGFR (0.72) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5113829 0.84 EGFR (0.79) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5117302 0.84 TEK (0.72) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5124388 0.84 EGFR (0.73) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5122500 0.83 EGFR (0.75) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5123582 0.83 EGFR (0.70) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5123499 0.83 EGFR (0.79) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL5116306 0.83 EGFR (0.69) 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 6 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
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 2127/4885TEK 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.