SCHEMBL3387916

SCHEMBL3387916

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1O[C@H]1CCNC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.66
KDR P35968 7/20 0.65
FLT1 P17948 6/20 0.65
ERBB2 P04626 5/20 0.65
EPHA2 P29317 4/20 0.65
EPHB4 P54760 4/20 0.65
FGFR1 P11362 3/20 0.61
FLT4 P35916 2/20 0.59
EPHB2 P29323 2/20 0.58
RIPK2 O43353 1/20 0.58
RET P07949 1/20 0.58
MET P08581 1/20 0.58
TEC P42680 1/20 0.58
EPHA4 P54764 1/20 0.58
BTK Q06187 1/20 0.58
KCNH2 Q12809 1/20 0.58
TNK1 Q13470 1/20 0.58
RIPK3 Q9Y572 1/20 0.58

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
SCHEMBL4886926 0.95 EGFR (0.70) EGFRKDRFLT1ERBB2EPHA2
SCHEMBL3392679 0.93 KDR (0.69) EGFRKDRFLT1ERBB2EPHA2
SCHEMBL17179603 0.89 EPHA2 (0.69) EGFRKDRFLT1ERBB2EPHA2
SCHEMBL17179540 0.89 EPHA2 (0.69) EGFRKDRFLT1ERBB2EPHA2
SCHEMBL28105882 0.88 KDR (0.67) EGFRKDRFLT1ERBB2EPHA2
SCHEMBL28105879 0.88 KDR (0.67) EGFRKDRFLT1ERBB2EPHA2
SCHEMBL3134269 0.88 EGFR (0.74) EGFRKDRFLT1ERBB2EPHA2
SCHEMBL14843767 0.88 EGFR (0.70) EGFRKDRFLT1ERBB2EPHA2
SCHEMBL29453264 0.88 EGFR (0.70) EGFRKDRFLT1ERBB2EPHA2
Hydrochloric Acid SCHEMBL30264639 0.87 ERBB2 (0.64) EGFRKDRFLT1ERBB2EPHA2

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-2167492-B1 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI SCIENCE CO LTD (KR) 2015-10-14 EP disclosed
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
EP-2167492-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS Hanmi Pharm. Co., Ltd. (KR) 2010-03-31 EP disclosed
WO-2008150118-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI PHARM. CO., LTD. (KR) 2008-12-11 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-20100179120-A1 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS EGFR, ERBB2, ERBB3 EGFR 1/4885KDR 65/4885FLT1 151/4885

“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.