SCHEMBL17845967

SCHEMBL17845967

CS(=O)(=O)Nc1cncc(-c2ccc3ncnc(NCc4ccccc4)c3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 1.00
PIK3CA P42336 1/20 1.00
CYP1A2 P05177 18/20 0.70
CYP3A4 P08684 18/20 0.70
CYP2D6 P10635 16/20 0.70
USP2 O75604 14/20 0.70
CYP2C19 P33261 14/20 0.70
MAPK1 P28482 10/20 0.70
HSD17B10 Q99714 9/20 0.70
HPGD P15428 5/20 0.70
KDM4E B2RXH2 4/20 0.70
MAPT P10636 3/20 0.70
LMNA P02545 11/20 0.67
ALDH1A1 P00352 10/20 0.67
HIF1A Q16665 9/20 0.67
CYP2C9 P11712 9/20 0.67
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
TSHR P16473 6/20 0.67
RAF1 P04049 2/20 0.67

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
SCHEMBL30301817 1.00 EGFR (1.00) EGFRPIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL29133708 0.90 EGFR (0.82) EGFRPIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL24576768 0.84 EGFR (0.72) EGFRPIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL24576531 0.83 EGFR (1.00) EGFRPIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL22585385 0.82 EGFR (0.70) EGFRPIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL29775152 0.82 EGFR (0.71) EGFRPIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL24576824 0.82 EGFR (0.71) EGFRPIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL17845960 0.80 CLK4 (0.72) EGFRPIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL13248042 0.79 EGFR (0.64) EGFRPIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL29667025 0.78 EGFR (0.64) EGFRPIK3CACYP1A2CYP3A4CYP2D6

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
US-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors MEKANISTIC THERAPEUTICS LLC (US) 2023-06-13 US disclosed
US-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors MEKANISTIC THERAPEUTICS LLC (US) 2023-06-13 US disclosed
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-20220213054-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS MEKANISTIC THERAPEUTICS LLC (US) 2022-07-07 US disclosed
WO-2022140456-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS MEKANISTIC THERAPEUTICS LLC (US) 2022-06-30 WO 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
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-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
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
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 (8 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 1/4885PIK3CA 6/4885CYP1A2 2730/4885
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 EGFR 1/4885PIK3CA 6/4885CYP1A2 2730/4885
US-11607414-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 EGFR 1/4885PIK3CA 6/4885CYP1A2 2730/4885
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 EGFR 1/4885PIK3CA 8/4885CYP1A2 2627/4885
US-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors EGFR, ERBB2, ERBB3 EGFR 1/4885PIK3CA 8/4885CYP1A2 2627/4885
US-20220213054-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 EGFR 1/4885PIK3CA 8/4885CYP1A2 2627/4885
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 EGFR 1/4885PIK3CA 6/4885CYP1A2 2730/4885
US-20220202818-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER CD274, PDCD1, PDCD1LG2 EGFR 378/4885PIK3CA 949/4885CYP1A2 3657/4885

“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.