SCHEMBL17845957

SCHEMBL17845957

Clc1cccc(Nc2ncnc3ccc(-c4cncc(-c5nnn[nH]5)c4)cc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.58
EGFR P00533 11/20 0.56
MAP4K4 O95819 1/20 0.55
ERBB2 P04626 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
PRNP P04156 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
FADS1 O60427 1/20 0.51
LCK P06239 1/20 0.50
RAF1 P04049 2/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL29793359 1.00 CD38 (0.58) CD38EGFRMAP4K4ERBB2CYP1A2
SCHEMBL29793326 0.92 EGFR (0.61) CD38EGFRMAP4K4ERBB2CYP1A2
SCHEMBL17845965 0.92 EGFR (0.61) CD38EGFRMAP4K4ERBB2CYP1A2
SCHEMBL17846073 0.88 MAP4K4 (0.53) CD38EGFRMAP4K4ERBB2CYP1A2
SCHEMBL19729031 0.85 FADS1 (0.51) CD38ERBB2FADS1RAF1BRAF
SCHEMBL30301804 0.82 EGFR (0.69) CD38EGFRMAP4K4ERBB2CYP1A2
SCHEMBL17845934 0.82 EGFR (0.69) CD38EGFRMAP4K4ERBB2CYP1A2
SCHEMBL29667097 0.81 EGFR (0.57) CD38EGFRMAP4K4ERBB2RAF1
SCHEMBL17846020 0.81 EGFR (0.57) CD38EGFRMAP4K4ERBB2RAF1
SCHEMBL29667053 0.80 CD38 (0.56) CD38EGFRMAP4K4ERBB2CYP1A2

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 23 patents — showing the first 20. 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
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-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
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
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 (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 CD38 4006/4885EGFR 1/4885MAP4K4 204/4885
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 CD38 4006/4885EGFR 1/4885MAP4K4 204/4885
US-11607414-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 CD38 4006/4885EGFR 1/4885MAP4K4 204/4885
US-20210023085-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 CD38 4006/4885EGFR 1/4885MAP4K4 204/4885
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 CD38 4006/4885EGFR 1/4885MAP4K4 204/4885
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 CD38 4006/4885EGFR 1/4885MAP4K4 204/4885
US-20220202818-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER CD274, PDCD1, PDCD1LG2 CD38 4621/4885EGFR 378/4885MAP4K4 591/4885

“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.