SCHEMBL17845960

SCHEMBL17845960

Nc1cncc(-c2ccc3ncnc(NCc4ccccc4)c3c2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 12/20 0.72
ALDH1A1 P00352 11/20 0.72
CYP1A2 P05177 11/20 0.72
CYP3A4 P08684 11/20 0.72
CYP2D6 P10635 11/20 0.72
HSD17B10 Q99714 11/20 0.72
CYP2C19 P33261 9/20 0.72
LMNA P02545 9/20 0.72
USP2 O75604 9/20 0.72
MAPK1 P28482 9/20 0.72
HIF1A Q16665 6/20 0.72
EGFR P00533 6/20 0.68
PIK3CA P42336 1/20 0.67
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
KDM4E B2RXH2 3/20 0.64
HPGD P15428 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
TSHR P16473 7/20 0.62
CYP2C9 P11712 6/20 0.62

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
SCHEMBL29133772 0.89 CYP1A2 (0.57) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL30301815 0.84 CLK4 (1.00) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24576556 0.82 EGFR (0.68) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24576768 0.82 EGFR (0.72) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL30301817 0.80 EGFR (1.00) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17845967 0.80 EGFR (1.00) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24576823 0.78 EGFR (0.64) CYP1A2CYP3A4LMNAMAPK1HIF1A
SCHEMBL1675019 0.77 CLK4 (1.00) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1675082 0.75 CLK4 (1.00) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17845927 0.75 LMNA (1.00) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6

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 CLK4 460/4885ALDH1A1 4653/4885CYP1A2 2730/4885
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 CLK4 460/4885ALDH1A1 4653/4885CYP1A2 2730/4885
US-11607414-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 CLK4 460/4885ALDH1A1 4653/4885CYP1A2 2730/4885
US-20210023085-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 CLK4 460/4885ALDH1A1 4653/4885CYP1A2 2730/4885
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 CLK4 460/4885ALDH1A1 4653/4885CYP1A2 2730/4885
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 CLK4 460/4885ALDH1A1 4653/4885CYP1A2 2730/4885
US-20220202818-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER CD274, PDCD1, PDCD1LG2 CLK4 1132/4885ALDH1A1 608/4885CYP1A2 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.