SCHEMBL21543468

SCHEMBL21543468

COc1ncc(N)c(C(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.39
PIK3CA P42336 3/20 0.35
MTOR P42345 2/20 0.35
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
EPHB4 P54760 1/20 0.35
PRKDC P78527 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
P2RX3 P56373 6/20 0.33
P2RX2 Q9UBL9 6/20 0.33
CYP1A2 P05177 3/20 0.33
FTO Q9C0B1 2/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13510193 0.80 P2RX3 (0.38) P2RX3P2RX2CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL21030294 0.78 P2RX3 (0.37) P2RX3P2RX2CYP1A2ALDH1A1
SCHEMBL13512493 0.78 CYP1A2 (0.36) HASPINPIK3CAMTORPIK3CDABL1
SCHEMBL29038138 0.77 GAA (0.37) EGFRP2RX3P2RX2CYP1A2FTO
SCHEMBL13058600 0.77 CYP1A2 (0.33) P2RX3P2RX2CYP1A2FTOALDH1A1
SCHEMBL3417147 0.75 HASPIN (0.39) HASPINPIK3CAMTORPIK3CDABL1
SCHEMBL17297734 0.74 POLB (0.33)
SCHEMBL16178329 0.74 CYP1A2 (0.45) HASPINPIK3CAMTORCYP1A2FTO
SCHEMBL30399803 0.74 PLAU (0.40) HASPINPIK3CAMTORPIK3CDABL1
SCHEMBL3192300 0.74 PLAU (0.40) HASPINPIK3CAMTORPIK3CDABL1

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-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-02-15 US disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-12-15 US disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 US disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 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 (5 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-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS HASPIN 477/4885PIK3CA 57/4885MTOR 2293/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS HASPIN 477/4885PIK3CA 57/4885MTOR 2293/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS HASPIN 477/4885PIK3CA 57/4885MTOR 2293/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS HASPIN 477/4885PIK3CA 57/4885MTOR 2293/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS HASPIN 477/4885PIK3CA 57/4885MTOR 2293/4885

“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.