Sugi Predict

Sugi Predict / Compounds / SCHEMBL9883170

SCHEMBL9883170

SCHEMBL9883170

Cc1cc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)/C=C/CN(C)C)cc23)ccc1F

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.86
▸ ERBB2 P04626 7/20 0.86
▸ GAK O14976 2/20 0.86
▸ ABL1 P00519 2/20 0.86
▸ LCK P06239 2/20 0.86
▸ MET P08581 2/20 0.86
▸ PHKG2 P15735 2/20 0.86
▸ BLK P51451 2/20 0.86
▸ IRAK1 P51617 2/20 0.86
▸ DYRK1A Q13627 2/20 0.86
▸ ERBB4 Q15303 2/20 0.86
▸ HIPK4 Q8NE63 2/20 0.86
▸ EPHA6 Q9UF33 2/20 0.86
▸ CIT O14578 1/20 0.86
▸ EPHB6 O15197 1/20 0.86
▸ RIPK2 O43353 1/20 0.86
▸ STK10 O94804 1/20 0.86
▸ LYN P07948 1/20 0.86
▸ RET P07949 1/20 0.86
▸ CHRM2 P08172 1/20 0.86

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
SCHEMBL28891488 0.94 EGFR (0.88) EGFRERBB2GAKABL1LCK
Afatinib SCHEMBL231073 0.93 EGFR (1.00) EGFRERBB2GAKABL1LCK
Afatinib SCHEMBL185621 0.93 EGFR (1.00) EGFRERBB2GAKABL1LCK
SCHEMBL15597268 0.93 EGFR (0.85) EGFRERBB2GAKABL1LCK
Afatinib SCHEMBL185786 0.93 EGFR (1.00) EGFRERBB2GAKABL1LCK
Afatinib SCHEMBL232772 0.93 EGFR (1.00) EGFRERBB2GAKABL1LCK
Afatinib SCHEMBL2865630 0.93 EGFR (1.00) EGFRERBB2GAKABL1LCK
Afatinib SCHEMBL2865634 0.93 EGFR (1.00) EGFRERBB2GAKABL1LCK
Afatinib SCHEMBL231072 0.93 EGFR (1.00) EGFRERBB2GAKABL1LCK
Afatinib SCHEMBL2269415 0.93 EGFR (1.00) EGFRERBB2GAKABL1LCK

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
US-9187459-B2 Quinazoline-7-ether compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-11-17 — — US disclosed
US-20140221406-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE NEWGEN THERAPEUTICS, INC. (US) 2014-08-07 — — US disclosed
US-8188102-B2 Amide derivative for inhibiting the growth of cancer cells HANMI HOLDINGS CO., LTD. (KR) 2012-05-29 — — US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 — — 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 (3 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 2/4885GAK 267/4885
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K EGFR 48/4885ERBB2 7/4885GAK 413/4885
US-20140221406-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE ABL1, ERBB4, ERBB2 EGFR 5/4885ERBB2 3/4885GAK 254/4885

“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.

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