SCHEMBL19908373

SCHEMBL19908373

CCc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.71
GAK O14976 1/20 0.67
RIPK2 O43353 1/20 0.67
BUB1 O43683 1/20 0.67
STK10 O94804 1/20 0.67
CARS1 P49589 1/20 0.67
MAP3K1 Q13233 1/20 0.67
PIP4K2C Q8TBX8 1/20 0.67
SLK Q9H2G2 1/20 0.67
ABL1 P00519 4/20 0.64
FGFR1 P11362 4/20 0.64
SRC P12931 4/20 0.64
PDGFRB P09619 2/20 0.64

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
SCHEMBL19314794 0.85 EGFR (0.76) EGFRGAKRIPK2BUB1STK10
SCHEMBL21967048 0.84 EGFR (0.76) EGFRGAKRIPK2BUB1STK10
SCHEMBL5843315 0.83 EGFR (1.00) EGFRGAKRIPK2BUB1STK10
SCHEMBL5842785 0.83 EGFR (1.00) EGFRGAKRIPK2BUB1STK10
SCHEMBL5842496 0.83 EGFR (1.00) EGFRGAKRIPK2BUB1STK10
SCHEMBL5843277 0.83 EGFR (1.00) EGFRGAKRIPK2BUB1STK10
SCHEMBL15339251 0.82 EGFR (0.79) EGFRGAKRIPK2BUB1STK10
SCHEMBL2102234 0.82 EGFR (0.74) EGFRGAKRIPK2BUB1STK10
SCHEMBL18700228 0.81 EGFR (0.69) EGFRGAKRIPK2BUB1STK10
Icotinib SCHEMBL29355667 0.80 EGFR (1.00) EGFRGAKRIPK2BUB1STK10

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-20190321369-A1 ICOTINIB-CONTAINING TOPICAL SKIN PHARMACEUTICAL COMPOSITIONS AND USE THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2019-10-24 US disclosed
EP-3008071-B1 POLYMORPHIC FORM OF ICOTINIB AND USES THEREOF BETTA PHARMACEUTICALS CO LTD (CN) 2018-02-28 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-20190321369-A1 ICOTINIB-CONTAINING TOPICAL SKIN PHARMACEUTICAL COMPOSITIONS AND USE THEREOF TYR, ABL1, LCK EGFR 83/4885GAK 301/4885RIPK2 552/4885

“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.