SCHEMBL18158236

SCHEMBL18158236

COc1cc2ncnc(Nc3ccc(C)c(Oc4ccccc4)c3)c2cc1OC

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.77
RIPK2 O43353 1/20 0.77
EPHB2 P29323 1/20 0.77
KDR P35968 6/20 0.68
RET P07949 3/20 0.68
CLK1 P49759 1/20 0.68
ABCG2 Q9UNQ0 1/20 0.68
LCK P06239 4/20 0.67
KIF5B P33176 1/20 0.67
SRC P12931 1/20 0.66
MAPK14 Q16539 1/20 0.63
ERBB2 P04626 1/20 0.60

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
SCHEMBL18158544 0.91 EGFR (0.77) EGFRRIPK2EPHB2KDRRET
SCHEMBL18158549 0.88 EGFR (0.79) EGFRRIPK2EPHB2KDRRET
SCHEMBL1387206 0.87 EGFR (1.00) EGFRRIPK2EPHB2KDRRET
SCHEMBL29385451 0.87 EGFR (1.00) EGFRRIPK2EPHB2KDRRET
SCHEMBL18158230 0.87 KDR (0.77) EGFRRIPK2EPHB2KDRRET
Hydrochloric Acid SCHEMBL8807925 0.86 EGFR (0.98) EGFRRIPK2EPHB2KDRRET
SCHEMBL18158268 0.86 EGFR (0.76) EGFRRIPK2EPHB2KDRRET
SCHEMBL18158259 0.86 EGFR (0.76) EGFRRIPK2EPHB2KDRRET
SCHEMBL18158215 0.85 EGFR (0.82) EGFRRIPK2EPHB2KDRRET
SCHEMBL2946975 0.85 EGFR (0.71) EGFRRIPK2EPHB2KDRRET

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-10548897-B2 KSR antagonists ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-02-04 US disclosed
WO-2016168704-A1 KSR ANTAGONISTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2016-10-20 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-10548897-B2 KSR antagonists KSR1, KSR2, KRAS EGFR 182/4885RIPK2 1014/4885EPHB2 1015/4885

“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.