SCHEMBL17858711

SCHEMBL17858711

CS(=O)(=O)Nc1cncc(-c2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.67
CYP3A4 P08684 5/20 0.67
CYP2C19 P33261 5/20 0.67
CYP2D6 P10635 4/20 0.67
LMNA P02545 3/20 0.67
USP2 O75604 3/20 0.67
MEN1 O00255 2/20 0.67
TSHR P16473 2/20 0.67
KMT2A Q03164 2/20 0.67
HIF1A Q16665 2/20 0.67
CLK4 Q9HAZ1 2/20 0.67
RAF1 P04049 3/20 0.65
BRAF P15056 3/20 0.65
EGFR P00533 8/20 0.64
PIK3CA P42336 1/20 0.64
HPGD P15428 3/20 0.62
MAPK1 P28482 3/20 0.62
MAPT P10636 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.60
ERBB2 P04626 2/20 0.55

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
SCHEMBL29667021 1.00 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL17845916 0.91 EGFR (0.64) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL17845982 0.89 EGFR (0.60) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL17845929 0.89 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL22585383 0.89 RAF1 (0.83) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL29667013 0.89 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL17845963 0.86 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL29667034 0.86 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL29667025 0.83 EGFR (0.64) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL17845932 0.83 EGFR (0.64) CYP1A2CYP3A4CYP2C19CYP2D6LMNA

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
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
US-20210023085-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2021-01-28 US 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-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
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-12-21 US 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 CYP1A2 2730/4885CYP3A4 3049/4885CYP2C19 2202/4885
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 CYP1A2 2730/4885CYP3A4 3049/4885CYP2C19 2202/4885
US-11607414-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 CYP1A2 2730/4885CYP3A4 3049/4885CYP2C19 2202/4885
US-20210023085-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 CYP1A2 2730/4885CYP3A4 3049/4885CYP2C19 2202/4885
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 CYP1A2 2730/4885CYP3A4 3049/4885CYP2C19 2202/4885
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 CYP1A2 2730/4885CYP3A4 3049/4885CYP2C19 2202/4885
US-20220202818-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER CD274, PDCD1, PDCD1LG2 CYP1A2 3657/4885CYP3A4 4140/4885CYP2C19 2763/4885

“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.