SCHEMBL22554969

SCHEMBL22554969

CC(C)(C)[Si](OCC1CCCN1C1CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.39
CHRNB2 P17787 2/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHI3L1 P36222 1/20 0.34
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB3 Q05901 1/20 0.33
SLC22A1 O15245 1/20 0.33
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
TP53 P04637 1/20 0.33
ADRB2 P07550 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
ADRB1 P08588 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL22554967 1.00 SMYD2 (0.39) SMYD2CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL31460034 0.96 SMYD2 (0.38) SMYD2CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL22554979 0.92 SMYD2 (0.40) SMYD2CYP3A4
SCHEMBL25906381 0.84 CHRNB2 (0.50) CHRNB2CHRNA5CHRNA7CHRNA4CHRNB4
SCHEMBL29945202 0.82 CHRNB4 (0.43) CHRNB2CHRNA5CHRNA7CHRNA4CHRNB4
SCHEMBL29875863 0.82 CHRNB4 (0.43) CHRNB2CHRNA5CHRNA7CHRNA4CHRNB4
SCHEMBL20534267 0.78 FFAR1 (0.46) SMYD2
SCHEMBL18786265 0.78 FFAR1 (0.46) SMYD2
SCHEMBL30805383 0.78 SMYD2 (0.36) SMYD2CYP3A4
SCHEMBL23665772 0.77 CASP3 (0.36) SMYD2CHRNB2CHRNA5CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112047939-B Tetrahydropyridopyrimidine compound with anti-tumor activity 江苏先声药业有限公司 2023-05-02 CN disclosed
US-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 US disclosed
EP-4087573-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2022-11-16 EP disclosed
CN-115181106-A Quinazoline KRAS G12D Preparation and application of mutant protein inhibitor 药雅科技(上海)有限公司 2022-10-14 CN disclosed
CN-115073451-A KRAS G12D Preparation and application of mutant protein inhibitor 药雅科技(上海)有限公司 2022-09-20 CN disclosed
CN-112047939-A Tetrahydropyridopyrimidine compound with anti-tumor activity 江苏先声药业有限公司 2020-12-08 CN disclosed
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 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-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS SMYD2 3495/4885CHRNB2 4856/4885CHRNA5 4867/4885
US-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS SMYD2 3495/4885CHRNB2 4856/4885CHRNA5 4867/4885

“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.