SCHEMBL16016669

SCHEMBL16016669

COc1cc2ncnc(O)c2cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 15/20 0.47
▸ KDR P35968 14/20 0.47
▸ KIF5B P33176 12/20 0.47
▸ FGFR1 P11362 2/20 0.45
▸ FLT1 P17948 2/20 0.45
▸ EGFR P00533 3/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ GAK O14976 1/20 0.44
▸ RIPK2 O43353 1/20 0.44
▸ STK10 O94804 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ AAK1 Q2M2I8 1/20 0.44
▸ Q6ZSR9 Q6ZSR9 1/20 0.44
▸ SLK Q9H2G2 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ RPS6KA6 Q9UK32 1/20 0.44
▸ ALK Q9UM73 1/20 0.44
▸ LCK P06239 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43
▸ ENPP1 P22413 1/20 0.42

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
SCHEMBL2476964 0.87 RET (0.55) RETKDRKIF5BFGFR1FLT1
SCHEMBL29801726 0.84 EGFR (0.53) RETKDRKIF5BEGFRJAK3
SCHEMBL216888 0.84 EGFR (0.53) RETKDRKIF5BEGFRJAK3
Hydrochloric Acid SCHEMBL28006468 0.83 EGFR (0.52) RETKDRKIF5BEGFRJAK3
SCHEMBL31469297 0.81 EGFR (0.49) RETKDRKIF5BFGFR1FLT1
SCHEMBL28704127 0.81 EGFR (0.49) RETKDRKIF5BFGFR1FLT1
SCHEMBL21614043 0.81 RET (0.43) RETKDRKIF5BFGFR1FLT1
SCHEMBL20355452 0.81 JAK3 (0.51) RETKDRKIF5BFGFR1FLT1
SCHEMBL8807100 0.81 EGFR (0.41) RETKDRKIF5BFGFR1FLT1
SCHEMBL7802744 0.81 EGFR (0.53) RETKDRKIF5BEGFRJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208584-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS SABILA BIOSCIENCES LLC (US) 2018-07-26 — — US disclosed
US-20180016259-A1 QUINAZOLINE INHIBITORS OF ACTIVATING MUTANT FORMS OF EPIDERMAL GROWTH FACTOR RECEPTOR ASTRAZENECA AB (SE) 2018-01-18 — — US disclosed
US-9718806-B2 Quinazoline inhibitors of activating mutant forms of epidermal growth factor receptor ASTRAZENECA AB (SE) 2017-08-01 — — US disclosed
US-20160340342-A1 QUINAZOLINE INHIBITORS OF ACTIVATING MUTANT FORMS OF EPIDERMAL GROWTH FACTOR RECEPTOR ASTRAZENECA AB (SE) 2016-11-24 — — US disclosed
US-9375432-B2 Quinazoline inhibitors of activating mutant forms of epidermal growth factor receptor ASTRAZENECA AB (SE) 2016-06-28 — — US disclosed
US-20150320751-A1 Quinazoline Inhibitors of activating mutant forms of Epidermal Growth Factor Receptor ASTRAZENECA AB (SE) 2015-11-12 — — US disclosed
US-9066979-B2 Quinazoline inhibitors of activating mutant forms of epidermal growth factor receptor ASTRAZENECA AB (SE) 2015-06-30 — — US disclosed
US-20140255428-A1 Quinazoline Inhibitors of activating mutant forms of Epidermal Growth Factor Receptor ASTRAZENECA AB (SE) 2014-09-11 — — 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 (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-20150320751-A1 Quinazoline Inhibitors of activating mutant forms of Epidermal Growth Factor Receptor EGFR, ABL1, ERBB2 RET 16/4885KDR 78/4885KIF5B 1887/4885
US-20180208584-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS EGFR, BRCA1, PTPRJ RET 165/4885KDR 2100/4885KIF5B 2309/4885
US-20180016259-A1 QUINAZOLINE INHIBITORS OF ACTIVATING MUTANT FORMS OF EPIDERMAL GROWTH FACTOR RECEPTOR EGFR, ERBB2, ABL1 RET 31/4885KDR 63/4885KIF5B 1603/4885
US-20160340342-A1 QUINAZOLINE INHIBITORS OF ACTIVATING MUTANT FORMS OF EPIDERMAL GROWTH FACTOR RECEPTOR EGFR, ABL1, ERBB2 RET 16/4885KDR 78/4885KIF5B 1887/4885
US-20140255428-A1 Quinazoline Inhibitors of activating mutant forms of Epidermal Growth Factor Receptor EGFR, ERBB2, ABL1 RET 27/4885KDR 74/4885KIF5B 1788/4885

“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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