SCHEMBL17845933

SCHEMBL17845933

COc1ncc(-c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)cc1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.61
ERBB2 P04626 2/20 0.61
RAF1 P04049 4/20 0.58
KDM4E B2RXH2 3/20 0.58
MAPT P10636 3/20 0.58
MAPK1 P28482 3/20 0.58
MEN1 O00255 3/20 0.58
CYP1A2 P05177 3/20 0.58
CYP3A4 P08684 3/20 0.58
KMT2A Q03164 3/20 0.58
CYP2D6 P10635 2/20 0.58
LMNA P02545 2/20 0.58
HSD17B10 Q99714 2/20 0.58
GMNN O75496 1/20 0.58
ALDH1A1 P00352 1/20 0.58
ABL1 P00519 1/20 0.58
TP53 P04637 1/20 0.58
GLA P06280 1/20 0.58
FBP1 P09467 1/20 0.58
SRC P12931 1/20 0.58

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
SCHEMBL17845975 0.87 EGFR (0.67) EGFRERBB2RAF1KDM4EMAPT
SCHEMBL30301802 0.87 EGFR (0.67) EGFRERBB2RAF1KDM4EMAPT
SCHEMBL29793189 0.84 EGFR (0.73) EGFRERBB2RAF1KDM4EMAPT
SCHEMBL17858692 0.84 EGFR (0.73) EGFRERBB2RAF1KDM4EMAPT
SCHEMBL29667014 0.83 PIK3CA (0.66) EGFRRAF1MEN1CYP1A2CYP3A4
SCHEMBL17845959 0.83 PIK3CA (0.66) EGFRRAF1MEN1CYP1A2CYP3A4
SCHEMBL17845961 0.83 EGFR (0.55) EGFRERBB2RAF1KDM4EMAPT
SCHEMBL29667126 0.83 EGFR (0.55) EGFRERBB2RAF1KDM4EMAPT
SCHEMBL28539235 0.82 EGFR (0.51) EGFRERBB2RAF1KDM4EMAPT
SCHEMBL4740850 0.82 BRAF (0.64) EGFRERBB2RAF1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11607414-B2 Small molecule inhibitors of EGFR and PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-03-21 US disclosed
EP-3233085-B1 QUINAZOLINE COMPOUNDS AS INHIBITORS OF EGFR AND PI3K UNIV MICHIGAN REGENTS (US) 2022-09-07 EP disclosed
US-20220202818-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-30 US disclosed
EP-3955923-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER The Regents Of The University Of Michigan (US) 2022-02-23 EP disclosed
CN-113354617-A Small molecule inhibitors of EGFR and PI3K 密歇根大学董事会 2021-09-07 CN disclosed
CN-107531665-B Small molecule inhibitors of EGFR and PI3K 密歇根大学董事会 2021-03-30 CN disclosed
US-20210023085-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2021-01-28 US disclosed
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-11-24 US disclosed
WO-2020215037-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-10-22 WO disclosed
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-06-06 US disclosed
US-10206924-B2 Small molecule inhibitors of EGFR and PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-02-19 US disclosed
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-12-21 US disclosed
EP-3233085-A2 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K The Regents of The University of Michigan (US) 2017-10-25 EP disclosed
WO-2016100347-A2 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-06-23 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 (7 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-10206924-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885RAF1 73/4885
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885RAF1 73/4885
US-11607414-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885RAF1 73/4885
US-20210023085-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885RAF1 73/4885
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885RAF1 73/4885
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885RAF1 73/4885
US-20220202818-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER CD274, PDCD1, PDCD1LG2 EGFR 378/4885ERBB2 1112/4885RAF1 155/4885

“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.