SCHEMBL5116929

SCHEMBL5116929

Nc1ncnc2c1c(-c1nc3ccc(NC(=O)Nc4c(F)cccc4F)cc3[nH]1)cn2C1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 1.00
ERBB2 P04626 10/20 1.00
ERBB3 P21860 10/20 1.00
ERBB4 Q15303 10/20 1.00
TEK Q02763 9/20 1.00
KDR P35968 2/20 0.63
RET P07949 2/20 0.49
FLT3 P36888 2/20 0.48
ABL1 P00519 3/20 0.48
SRC P12931 3/20 0.48
ABL2 P42684 3/20 0.48
JAK2 O60674 1/20 0.48
NTRK1 P04629 1/20 0.48
INSR P06213 1/20 0.48
LCK P06239 1/20 0.48
NPM1 P06748 1/20 0.48
CSF1R P07333 1/20 0.48
LYN P07948 1/20 0.48
IGF1R P08069 1/20 0.48
MET P08581 1/20 0.48

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
SCHEMBL5125107 0.93 EGFR (0.86) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL5108622 0.92 EGFR (0.84) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL5112354 0.90 EGFR (0.82) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL5113943 0.90 EGFR (0.82) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL5123455 0.89 EGFR (0.80) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL5123156 0.88 EGFR (0.79) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL5112748 0.88 EGFR (0.79) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL5116346 0.88 EGFR (0.78) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL5108648 0.88 EGFR (0.78) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL5109567 0.87 EGFR (0.77) 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 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 2127/4885ERBB2 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.