SCHEMBL845053

SCHEMBL845053

COCCOc1cc2ncnc(Nc3ccccc3C)c2cc1OCCOC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.63
FLT1 P17948 5/20 0.63
EGFR P00533 11/20 0.62
ILK Q13418 2/20 0.61
KDM1A O60341 2/20 0.60
FGFR1 P11362 2/20 0.60
FLT4 P35916 2/20 0.60
GAK O14976 2/20 0.60
ERBB2 P04626 2/20 0.59
RET P07949 2/20 0.59
FBP1 P09467 1/20 0.59
PLK4 O00444 1/20 0.59
CIT O14578 1/20 0.59
AURKA O14965 1/20 0.59
EPHB6 O15197 1/20 0.59
SLC22A1 O15245 1/20 0.59
DAPK3 O43293 1/20 0.59
RIPK2 O43353 1/20 0.59
BUB1 O43683 1/20 0.59
JAK2 O60674 1/20 0.59

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
SCHEMBL12200787 0.86 RET (0.74) KDRFLT1EGFRRETLCK
SCHEMBL16760448 0.84 RET (0.78) KDRFLT1EGFRFGFR1FLT4
SCHEMBL20805304 0.84 EGFR (0.77) KDRFLT1EGFRILKKDM1A
SCHEMBL1507598 0.82 EGFR (0.70) KDRFLT1EGFRILKKDM1A
Hydrochloric Acid SCHEMBL1507438 0.82 EGFR (0.70) KDRFLT1EGFRILKKDM1A
SCHEMBL3172507 0.82 EGFR (0.67) KDRFLT1EGFRILKKDM1A
SCHEMBL18447218 0.81 KDM1A (0.77) KDRFLT1EGFRILKKDM1A
SCHEMBL5648407 0.80 EGFR (0.65) KDRFLT1EGFRFGFR1FLT4
SCHEMBL799667 0.80 EGFR (0.78) KDRFLT1EGFRILKKDM1A
SCHEMBL4736845 0.79 EGFR (0.66) KDRFLT1EGFRILKKDM1A

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-2433931-B2 New method for the preparation of erlotinib ITALIANA SINT SPA (IT) 2016-11-02 EP disclosed
US-8609841-B2 Method for the preparation of erlotinib F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2013-12-17 US disclosed
EP-2433931-B1 New method for the preparation of erlotinib ITALIANA SINT SPA (IT) 2013-08-21 EP disclosed
US-20120095228-A1 METHOD FOR THE PREPARATION OF ERLOTINIB F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2012-04-19 US disclosed
EP-2433931-A1 New method for the preparation of erlotinib F.I.S. Fabbrica Italiana Sintetici S.p.A. (IT) 2012-03-28 EP 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-20120095228-A1 METHOD FOR THE PREPARATION OF ERLOTINIB EGFR, ABL1, ERBB2 KDR 11/4885FLT1 96/4885EGFR 1/4885

“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.