SCHEMBL9883236

SCHEMBL9883236

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1O[C@H]1CCN(C(=O)CCN2CCN(C)CC2)C1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.74
ERBB2 P04626 5/20 0.68
FGFR1 P11362 1/20 0.62
FLT1 P17948 1/20 0.62
KDR P35968 1/20 0.62
RIPK2 O43353 1/20 0.62
RET P07949 1/20 0.62
MET P08581 1/20 0.62
EPHB2 P29323 1/20 0.62
TEC P42680 1/20 0.62
EPHB4 P54760 1/20 0.62
EPHA4 P54764 1/20 0.62
BTK Q06187 1/20 0.62
KCNH2 Q12809 1/20 0.62
TNK1 Q13470 1/20 0.62
RIPK3 Q9Y572 1/20 0.62

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
SCHEMBL3434895 0.89 EGFR (0.70) EGFRERBB2FGFR1FLT1KDR
SCHEMBL9883243 0.88 EGFR (0.79) EGFRERBB2RIPK2RETMET
SCHEMBL9883167 0.87 EGFR (0.84) EGFRERBB2FGFR1FLT1KDR
SCHEMBL4887224 0.87 ERBB2 (0.79) EGFRERBB2FGFR1FLT1KDR
SCHEMBL3695941 0.85 EGFR (1.00) EGFRERBB2RIPK2RETMET
SCHEMBL3424083 0.85 EGFR (1.00) EGFRERBB2RIPK2RETMET
SCHEMBL3420763 0.85 EGFR (0.86) EGFRERBB2FLT1KDRRIPK2
SCHEMBL5207429 0.85 EGFR (0.85) EGFRERBB2FGFR1FLT1KDR
SCHEMBL9883218 0.84 EGFR (0.84) EGFRERBB2FGFR1FLT1KDR
Hydrochloric Acid SCHEMBL4885183 0.84 ERBB2 (0.74) EGFRERBB2FGFR1FLT1KDR

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-8188102-B2 Amide derivative for inhibiting the growth of cancer cells HANMI HOLDINGS CO., LTD. (KR) 2012-05-29 US disclosed
US-20100179120-A1 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI PHARM. CO., LTD. (KR) 2010-07-15 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-20100179120-A1 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885FGFR1 11/4885

“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.