SCHEMBL17845926

SCHEMBL17845926

C[Si](C)(C)C#Cc1cccc(Nc2ncnc3ccc(Br)cc23)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.65
KDM4E B2RXH2 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61
MAPT P10636 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
MEN1 O00255 1/20 0.61
NPC1 O15118 1/20 0.61
PRNP P04156 1/20 0.61
HTT P42858 1/20 0.61
KMT2A Q03164 1/20 0.61
EGFR P00533 10/20 0.59
ERBB2 P04626 4/20 0.59
ABCG2 Q9UNQ0 2/20 0.55
GAK O14976 1/20 0.55
MAPK13 O15264 1/20 0.55
ABL1 P00519 1/20 0.55
CDK1 P06493 1/20 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
SCHEMBL4349199 0.79 MAPK1 (1.00) MAPK1KDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6186081 0.78 MAPK1 (0.97) MAPK1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL7702775 0.78 EGFR (0.76) CYP3A4MAPTEGFRERBB2ABCG2
SCHEMBL30127245 0.77 ALDH1A1 (0.47) MAPK1KDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7708472 0.77 EGFR (0.77) CYP3A4MAPTEGFRERBB2ABCG2
SCHEMBL8225745 0.77 KDM4E (0.73) MAPK1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL4783154 0.76 KDM4E (1.00) MAPK1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL15077994 0.76 RAF1 (0.74) MAPK1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL18292473 0.76 EGFR (0.84) MAPK1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL6796326 0.75 EGFR (0.71) CYP3A4MAPTEGFRERBB2ABCG2

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 MAPK1 138/4885KDM4E 2937/4885CYP1A2 2730/4885
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 MAPK1 138/4885KDM4E 2937/4885CYP1A2 2730/4885
US-11607414-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 MAPK1 138/4885KDM4E 2937/4885CYP1A2 2730/4885
US-20210023085-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 MAPK1 138/4885KDM4E 2937/4885CYP1A2 2730/4885
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 MAPK1 138/4885KDM4E 2937/4885CYP1A2 2730/4885
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 MAPK1 138/4885KDM4E 2937/4885CYP1A2 2730/4885
US-20220202818-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER CD274, PDCD1, PDCD1LG2 MAPK1 101/4885KDM4E 1364/4885CYP1A2 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.