Sugi Predict

Sugi Predict / Compounds / SCHEMBL19612073

SCHEMBL19612073

SCHEMBL19612073

NCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.86
▸ ERBB2 P04626 4/20 0.86
▸ KIT P10721 3/20 0.86
▸ SRC P12931 3/20 0.86
▸ ERBB3 P21860 3/20 0.86
▸ ERBB4 Q15303 3/20 0.86
▸ BRAF P15056 2/20 0.86
▸ CIT O14578 2/20 0.86
▸ GAK O14976 2/20 0.86
▸ EPHB6 O15197 2/20 0.86
▸ RIPK2 O43353 2/20 0.86
▸ STK17B O94768 2/20 0.86
▸ STK10 O94804 2/20 0.86
▸ ABL1 P00519 2/20 0.86
▸ LCK P06239 2/20 0.86
▸ LYN P07948 2/20 0.86
▸ RET P07949 2/20 0.86
▸ MET P08581 2/20 0.86
▸ HCK P08631 2/20 0.86
▸ FGR P09769 2/20 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
SCHEMBL29577833 0.97 EGFR (0.92) EGFRERBB2KITSRCERBB3
SCHEMBL28713534 0.97 EGFR (0.92) EGFRERBB2KITSRCERBB3
SCHEMBL31491114 0.94 EGFR (0.87) EGFRERBB2KITSRCERBB3
SCHEMBL31491135 0.93 EGFR (0.86) EGFRERBB2KITSRCERBB3
SCHEMBL31491173 0.93 EGFR (0.86) EGFRERBB2KITSRCERBB3
SCHEMBL31491130 0.93 EGFR (0.86) EGFRERBB2KITSRCERBB3
Gefitinib SCHEMBL29351336 0.92 EGFR (1.00) EGFRERBB2KITSRCERBB3
Gefitinib SCHEMBL29351046 0.92 EGFR (1.00) EGFRERBB2KITSRCERBB3
SCHEMBL31491119 0.92 EGFR (0.85) EGFRERBB2KITSRCERBB3
Gefitinib SCHEMBL465143 0.92 EGFR (1.00) EGFRERBB2KITSRCERBB3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562917-B2 Chimeric compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2020-02-18 — — US disclosed
US-20190276474-A1 CHIMERIC COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. 2019-09-12 — — US disclosed
US-10144745-B2 Chimeric compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-12-04 — — US disclosed
US-9938302-B2 Chimeric compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-04-10 — — US disclosed
US-20170333443-A1 CHIMERIC COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. 2017-11-23 — — US disclosed
US-20170334932-A1 CHIMERIC COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. 2017-11-23 — — US disclosed
WO-2017201069-A1 OXOINDOLINE DERIVATIVES AS PROTEIN FUNCTION MODULATORS BIOTHERYX, INC. (US) 2017-11-23 — — 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 (5 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-10144745-B2 Chimeric compounds targeting proteins, compositions, methods, and uses thereof IKZF3, IKZF1, CKS1B EGFR 763/4885ERBB2 1115/4885KIT 1172/4885
US-10562917-B2 Chimeric compounds targeting proteins, compositions, methods, and uses thereof IKZF3, IKZF1, CKS1B EGFR 763/4885ERBB2 1115/4885KIT 1172/4885
US-20170333443-A1 CHIMERIC COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF IKZF3, IKZF1, CKS1B EGFR 763/4885ERBB2 1115/4885KIT 1172/4885
US-20170334932-A1 CHIMERIC COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF IKZF3, IKZF1, CKS1B EGFR 763/4885ERBB2 1115/4885KIT 1172/4885
US-20190276474-A1 CHIMERIC COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF IKZF3, IKZF1, CKS1B EGFR 763/4885ERBB2 1115/4885KIT 1172/4885

“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.