SCHEMBL4127877

SCHEMBL4127877

COc1cc2nc(N3CCOCC3)nc(NC(=N)N(C)c3cccc(C)c3)c2cc1OCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.48
KDR P35968 6/20 0.48
BRAF P15056 1/20 0.48
EHMT2 Q96KQ7 5/20 0.48
EHMT1 Q9H9B1 3/20 0.48
RET P07949 1/20 0.44
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KMT5A Q9NQR1 2/20 0.44
EPHA2 P29317 1/20 0.44
EPHB4 P54760 1/20 0.44
SRC P12931 2/20 0.43
PDGFRB P09619 1/20 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
SCHEMBL426005 0.86 EGFR (0.57) EGFRKDRBRAFEHMT2EHMT1
SCHEMBL458720 0.83 EGFR (0.57) EGFRKDRBRAFEHMT2EHMT1
SCHEMBL4121881 0.83 BRAF (0.67) EGFRKDRBRAF
SCHEMBL431414 0.82 EGFR (0.53) EGFRKDRBRAFEHMT2EHMT1
SCHEMBL425677 0.82 EGFR (0.56) EGFRKDRBRAFEHMT2EHMT1
SCHEMBL426006 0.82 EGFR (0.49) EGFRKDRBRAFEHMT2EHMT1
SCHEMBL10160948 0.82 EGFR (0.56) EGFRKDRBRAFEHMT2EHMT1
SCHEMBL425675 0.81 EGFR (0.48) EGFRKDRBRAFEHMT2EHMT1
SCHEMBL425676 0.81 EGFR (0.48) EGFRKDRBRAFEHMT2EHMT1
SCHEMBL13622708 0.81 EGFR (0.56) EGFRKDRBRAFEHMT2EHMT1

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-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 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-20090253694-A1 Fused hetrocyclic compounds IL2, IL15, IL4 EGFR 3409/4885KDR 3480/4885BRAF 4124/4885

“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.