SCHEMBL17845931

SCHEMBL17845931

Nc1cncc(-c2ccc3ncnc(Nc4ccc(Oc5ccncc5)cc4)c3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
MAPK1 P28482 2/20 0.54
HIF1A Q16665 1/20 0.54
CD38 P28907 6/20 0.53
MAP4K4 O95819 1/20 0.53
PIK3CA P42336 1/20 0.52
PIK3CG P48736 1/20 0.52
RIPK2 O43353 2/20 0.49
MAPT P10636 1/20 0.48
GRM1 Q13255 1/20 0.48
KDR P35968 1/20 0.48
TEK Q02763 1/20 0.48
BRAF P15056 3/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL17845974 0.83 EGFR (0.59) RAF1LMNACYP1A2CYP3A4MAPK1
SCHEMBL29667029 0.83 EGFR (0.59) RAF1LMNACYP1A2CYP3A4MAPK1
SCHEMBL17845922 0.79 KDM4E (0.64) LMNACYP1A2CYP3A4MAPK1RIPK2
SCHEMBL17845962 0.76 RAF1 (0.59) RAF1PIK3CAPIK3CGKDRTEK
SCHEMBL30301804 0.76 EGFR (0.69) RAF1LMNACYP1A2CYP3A4MAPK1
SCHEMBL17845934 0.76 EGFR (0.69) RAF1LMNACYP1A2CYP3A4MAPK1
SCHEMBL7234980 0.73 EGFR (0.77) MAPK1RIPK2MAPTGRM1KDR
SCHEMBL18158594 0.73 EGFR (0.80) RIPK2KDRIRAK4EGFREPHB2
Hydrochloric Acid SCHEMBL7240600 0.72 EGFR (0.75) MAPK1RIPK2MAPTGRM1KDR
SCHEMBL17665809 0.72 MAP4K4 (0.68) MAP4K4

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 RAF1 73/4885LMNA 4781/4885CYP1A2 2730/4885
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 RAF1 73/4885LMNA 4781/4885CYP1A2 2730/4885
US-11607414-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 RAF1 73/4885LMNA 4781/4885CYP1A2 2730/4885
US-20210023085-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 RAF1 73/4885LMNA 4781/4885CYP1A2 2730/4885
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 RAF1 73/4885LMNA 4781/4885CYP1A2 2730/4885
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 RAF1 73/4885LMNA 4781/4885CYP1A2 2730/4885
US-20220202818-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER CD274, PDCD1, PDCD1LG2 RAF1 155/4885LMNA 4139/4885CYP1A2 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.