SCHEMBL1387182

SCHEMBL1387182

COc1cc2ncnc(Nc3ccc(Nc4ccccc4)cc3)c2cc1OC

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.94
KDR P35968 7/20 0.94
RET P07949 4/20 0.94
LCK P06239 5/20 0.92
RIPK2 O43353 2/20 0.81
EPHB2 P29323 1/20 0.81
FLT1 P17948 1/20 0.76
GAK O14976 1/20 0.76
STK10 O94804 1/20 0.76
FLT3 P36888 1/20 0.76
JAK3 P52333 1/20 0.76
AAK1 Q2M2I8 1/20 0.76
Q6ZSR9 Q6ZSR9 1/20 0.76
SLK Q9H2G2 1/20 0.76
IRAK4 Q9NWZ3 1/20 0.76
RPS6KA6 Q9UK32 1/20 0.76
ALK Q9UM73 1/20 0.76
CLK1 P49759 1/20 0.75
ABCG2 Q9UNQ0 1/20 0.75
AURKA O14965 1/20 0.72

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
Hydrochloric Acid SCHEMBL8807895 0.99 EGFR (0.95) EGFRKDRRETLCKRIPK2
SCHEMBL29515328 0.97 EGFR (1.00) EGFRKDRRETLCKRIPK2
SCHEMBL1257431 0.97 EGFR (1.00) EGFRKDRRETLCKRIPK2
Hydrochloric Acid SCHEMBL5475737 0.96 EGFR (1.00) EGFRKDRRETLCKRIPK2
Hydrochloric Acid SCHEMBL8814111 0.91 EGFR (0.85) EGFRKDRRETLCKRIPK2
SCHEMBL13604741 0.90 EGFR (0.85) EGFRKDRRETLCKRIPK2
SCHEMBL1387206 0.90 EGFR (1.00) EGFRKDRRETLCKRIPK2
SCHEMBL29385451 0.90 EGFR (1.00) EGFRKDRRETLCKRIPK2
SCHEMBL18158179 0.89 EGFR (0.79) EGFRKDRRETLCKRIPK2
SCHEMBL22338291 0.89 EGFR (0.83) EGFRKDRRETLCKRIPK2

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
JP-H10505600-A 1998-06-02 JP claimed
EP-0782570-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1997-07-09 EP claimed
WO-1996009294-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-28 WO claimed
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
WO-1996009294-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-28 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 182/4885KDR 1123/4885RET 321/4885

“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.