SCHEMBL5116426

SCHEMBL5116426

O=C(O)c1cn(C2CCCC2)c2ncnc(Cl)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.45
EGFR P00533 11/20 0.44
SRC P12931 7/20 0.44
ABL1 P00519 6/20 0.44
ABL2 P42684 5/20 0.44
LCK P06239 4/20 0.43
ERBB2 P04626 5/20 0.43
ERBB3 P21860 5/20 0.43
ERBB4 Q15303 5/20 0.43
TEK Q02763 5/20 0.43
KDR P35968 4/20 0.43
CSF1R P07333 2/20 0.43
IGF1R P08069 2/20 0.43
FGFR1 P11362 2/20 0.43
FLT1 P17948 2/20 0.43
FLT3 P36888 2/20 0.43
MST1R Q04912 2/20 0.43
NTRK3 Q16288 2/20 0.43
NTRK2 Q16620 2/20 0.43
ALK Q9UM73 2/20 0.43

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
SCHEMBL5122419 0.84 RET (0.61) RETEGFRSRCABL1ABL2
SCHEMBL19732787 0.81 EGFR (0.60) RETEGFRSRCABL1ABL2
SCHEMBL10140510 0.81 ADK (0.47) RETEGFRSRCABL1ABL2
SCHEMBL1939677 0.78 EGFR (0.56) RETEGFRSRCABL1ABL2
SCHEMBL1942725 0.77 ADK (0.52) RETEGFRSRCABL1ABL2
SCHEMBL1939761 0.77 ADK (0.52) RETEGFRSRCABL1ABL2
SCHEMBL20351756 0.77 ADK (0.53) RETEGFRSRCABL1ABL2
SCHEMBL16236685 0.76 ADK (0.51) RETEGFRSRCABL1ABL2
SCHEMBL22086530 0.76 ADK (0.51) RETEGFRSRCABL1ABL2
SCHEMBL30373169 0.76 ADK (0.51) RETEGFRSRCABL1ABL2

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 2 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 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 RET 298/4885EGFR 2127/4885SRC 1390/4885

“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.