SCHEMBL20944816

SCHEMBL20944816

C[Si](C)(C)O[Si](C)(C)C.OC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCCN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C19 P33261 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
TACR1 P25103 3/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
THPO P40225 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL15517626 1.00 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL5536844 0.89 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL3008035 0.89 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL3008034 0.89 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL15281197 0.85 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL15281063 0.85 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL20128490 0.85 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL10326924 0.83 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL10327087 0.83 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL10326851 0.83 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C19KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192682-A1 IMPROVED SYNTHESIS OF KRAS G12C INHIBITOR COMPOUND AMGEN INC. 2023-06-22 US claimed
EP-4058432-A1 IMPROVED SYNTHESIS OF KRAS G12C INHIBITOR COMPOUND Amgen Inc. (US) 2022-09-21 EP claimed
WO-2021097207-A1 IMPROVED SYNTHESIS OF KRAS G12C INHIBITOR COMPOUND AMGEN INC. (US) 2021-05-20 WO claimed
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
US-20230192682-A1 IMPROVED SYNTHESIS OF KRAS G12C INHIBITOR COMPOUND AMGEN INC. 2023-06-22 US disclosed
EP-4058432-A1 IMPROVED SYNTHESIS OF KRAS G12C INHIBITOR COMPOUND Amgen Inc. (US) 2022-09-21 EP disclosed
WO-2021097207-A1 IMPROVED SYNTHESIS OF KRAS G12C INHIBITOR COMPOUND AMGEN INC. (US) 2021-05-20 WO disclosed
US-20190127306-A1 POLYCYCLIC CARBOGENIC MOLECULES AND USES THEREOF AS ANTI-CANCER AGENTS NORTHWESTERN UNIVERSITY (US) 2019-05-02 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 (2 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-20230192682-A1 IMPROVED SYNTHESIS OF KRAS G12C INHIBITOR COMPOUND KRAS, NRAS, HRAS CYP1A2 4074/4885CYP2D6 3132/4885CYP2C19 2185/4885
US-20190127306-A1 POLYCYCLIC CARBOGENIC MOLECULES AND USES THEREOF AS ANTI-CANCER AGENTS MYC, CDK4, CDKL3 CYP1A2 3279/4885CYP2D6 4035/4885CYP2C19 2920/4885

“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.