SCHEMBL23957329

SCHEMBL23957329

COCC1CC(F)CN1C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.36
CASP7 P55210 4/20 0.36
NOS1 P29475 1/20 0.31
PDK1 Q15118 2/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30

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
SCHEMBL10273862 1.00 CASP3 (0.36) CASP3CASP7NOS1PDK1PDK2
SCHEMBL21733403 1.00 CASP3 (0.36) CASP3CASP7NOS1PDK1PDK2
SCHEMBL21733378 1.00 CASP3 (0.36) CASP3CASP7NOS1PDK1PDK2
SCHEMBL24176145 1.00 CASP3 (0.36) CASP3CASP7NOS1PDK1PDK2
SCHEMBL18461688 0.85 ALOX5 (0.33)
SCHEMBL23158043 0.82 NOS1 (0.30) NOS1
SCHEMBL23158046 0.82 NOS1 (0.30) NOS1
SCHEMBL22062833 0.80
SCHEMBL24854605 0.80 PDK1 (0.33) PDK1
SCHEMBL22062975 0.79 ALDH1A1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225252-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS THERAS, INC. (US) 2023-11-23 WO disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
WO-2023133183-A1 KRAS INHIBITORS THERAS, INC. (US) 2023-07-13 WO disclosed
WO-2023133181-A1 KRAS INHIBITORS THERAS, INC. (US) 2023-07-13 WO disclosed
WO-2023086383-A1 SELECT KRAS G12C INHIBITORS AND USES THEREOF 1200 PHARMA LLC (US) 2023-05-19 WO disclosed
WO-2023004102-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS THERAS, INC. (US) 2023-01-26 WO disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 US disclosed
WO-2022262797-A1 COMBINATION OF AN ERK INHIBITOR AND A KRAS INHIBITOR AND USES THEREOF SHANGHAI ANTENGENE CORPORATION LIMITED (CN) 2022-12-22 WO disclosed
US-20220081413-A1 SYNTHESIS OF QUINAZOLINE COMPOUNDS GENENTECH, INC. (US) 2022-03-17 US disclosed
WO-2021216770-A1 SUBSTITUTED TETRAHYDROQUINAZOLINE COMPOUNDS AS KRAS INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2021-10-28 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 (3 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-20220081413-A1 SYNTHESIS OF QUINAZOLINE COMPOUNDS COQ8A, SQSTM1, QARS1 CASP3 3530/4885CASP7 3358/4885NOS1 2444/4885
US-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS CASP3 3166/4885CASP7 2259/4885NOS1 3294/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS CASP3 3166/4885CASP7 2259/4885NOS1 3294/4885

“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.