SCHEMBL19728993

SCHEMBL19728993

CC(C)(C)Nc1ncnc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.69
▸ EGFR P00533 3/20 0.56
▸ ABCG2 Q9UNQ0 2/20 0.56
▸ DAPK3 O43293 1/20 0.56
▸ MAP4K4 O95819 1/20 0.56
▸ ABL1 P00519 1/20 0.56
▸ ERBB2 P04626 1/20 0.56
▸ PIM1 P11309 1/20 0.56
▸ PRKACA P17612 1/20 0.56
▸ LTK P29376 1/20 0.56
▸ MAPK8 P45983 1/20 0.56
▸ CSNK1A1 P48729 1/20 0.56
▸ RPS6KA3 P51812 1/20 0.56
▸ LIMK1 P53667 1/20 0.56
▸ MAP2K1 Q02750 1/20 0.56
▸ ACVR1 Q04771 1/20 0.56
▸ TYRO3 Q06418 1/20 0.56
▸ MAP4K2 Q12851 1/20 0.56
▸ ROCK1 Q13464 1/20 0.56
▸ DYRK1A Q13627 1/20 0.56

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
SCHEMBL883724 0.79 EGFR (0.61) CYP1A2EGFRABCG2DAPK3MAP4K4
SCHEMBL8976752 0.78 EGFR (0.78) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL22302812 0.77 LATS1 (0.56) CYP1A2EGFRRAB9ALMNANPC1
SCHEMBL11250839 0.77 CYP1A2 (0.58) CYP1A2EGFRABCG2DAPK3MAP4K4
SCHEMBL4569243 0.76 GALR3 (0.63) CYP1A2EGFRABCG2DAPK3MAP4K4
SCHEMBL18552030 0.75 EGFR (0.61) CYP1A2EGFRABCG2DAPK3MAP4K4
SCHEMBL30317647 0.75 EGFR (0.61) CYP1A2EGFRABCG2DAPK3MAP4K4
SCHEMBL3874722 0.75 EGFR (0.61) CYP1A2EGFRABCG2DAPK3MAP4K4
SCHEMBL30117681 0.74 GALR3 (0.71) CYP1A2EGFRABCG2DAPK3MAP4K4
SCHEMBL15889088 0.74 GALR3 (0.71) CYP1A2EGFRABCG2DAPK3MAP4K4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 CYP1A2 2730/4885EGFR 1/4885ABCG2 456/4885
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 CYP1A2 2730/4885EGFR 1/4885ABCG2 456/4885
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 CYP1A2 2730/4885EGFR 1/4885ABCG2 456/4885
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 CYP1A2 2730/4885EGFR 1/4885ABCG2 456/4885

“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.

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