SCHEMBL3401852

SCHEMBL3401852

Cc1cc(Nc2ncnc3ccn(CCO)c23)ccc1Oc1cccc2sncc12

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.82
ERBB2 P04626 20/20 0.82
ERBB4 Q15303 3/20 0.65
LCK P06239 1/20 0.65
LYN P07948 1/20 0.65
MET P08581 1/20 0.65
SRC P12931 1/20 0.65
CSK P41240 1/20 0.65
MAP2K1 Q02750 1/20 0.65
TEK Q02763 1/20 0.65
ERBB3 P21860 2/20 0.54

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
SCHEMBL3405235 0.96 EGFR (0.77) EGFRERBB2ERBB4LCKLYN
SCHEMBL3403405 0.91 EGFR (0.81) EGFRERBB2ERBB4LCKLYN
Hydrochloric Acid SCHEMBL3403689 0.91 EGFR (0.69) EGFRERBB2ERBB4LCKLYN
SCHEMBL3400705 0.90 EGFR (0.82) EGFRERBB2ERBB4LCKLYN
SCHEMBL13070990 0.90 EGFR (0.82) EGFRERBB2ERBB4LCKLYN
SCHEMBL3403786 0.90 EGFR (1.00) EGFRERBB2ERBB4LCKLYN
SCHEMBL3403796 0.90 EGFR (0.85) EGFRERBB2ERBB4LCKLYN
SCHEMBL4288120 0.88 EGFR (0.79) EGFRERBB2ERBB4LCKLYN
SCHEMBL3400698 0.88 EGFR (0.85) EGFRERBB2ERBB4LCKLYN
SCHEMBL3404906 0.88 EGFR (0.86) EGFRERBB2ERBB4LCKLYN

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253633-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
EP-2253633-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-20090233937-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-17 US disclosed
US-20090233937-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-17 US disclosed
US-20090233937-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-17 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-20090233937-A1 FUSED HETEROCYCLIC COMPOUND ROS1, JAK2, ERBB2 EGFR 11/4885ERBB2 3/4885ERBB4 7/4885

“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.