SCHEMBL21938210

SCHEMBL21938210

CCC(C)(C)c1c(C)ccc2[nH]ncc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.38
▸ AXL P30530 2/20 0.37
▸ ESR2 Q92731 9/20 0.36
▸ ESR1 P03372 8/20 0.36
▸ NOS1 P29475 3/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ TRPA1 O75762 1/20 0.33
▸ METAP2 P50579 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
SCHEMBL24285781 0.84 IDO1 (0.34) IDO1AXLESR2ESR1NOS1
SCHEMBL17030759 0.84 IDO1 (0.41) IDO1AXLESR2ESR1NOS1
SCHEMBL25794205 0.80 IDO1 (0.40) IDO1CDK2FLT3CCNA1METAP2
SCHEMBL18456308 0.79 AXL (0.50) IDO1AXLESR2ESR1NOS1
SCHEMBL25799613 0.79 NOS1 (0.39) IDO1AXLESR2ESR1NOS1
SCHEMBL18408609 0.76 — —
SCHEMBL19115364 0.75 MAPT (0.51) NOS1FLT3TRPA1
SCHEMBL24089316 0.75 — —
SCHEMBL10285272 0.75 AXL (0.62) IDO1AXLNOS1CDK2TRPA1
SCHEMBL20850537 0.74 CDK2 (0.43) IDO1AXLESR2ESR1NOS1

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
US-20240217982-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-07-04 — — US disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 — — US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 — — US disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 — — US disclosed
US-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer ARAXES PHARMA LLC (US) 2022-03-22 — — US disclosed
US-11136308-B2 Substituted quinazoline and quinazolinone compounds and methods of use thereof ARAXES PHARMA LLC (US) 2021-10-05 — — US disclosed
US-20200109153-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS ASTRAZENECA AB (SE) 2020-04-09 — — 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 (7 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-20240217982-A1 KRAS INHIBITORS KRAS, NRAS, HRAS IDO1 4657/4885AXL 2161/4885ESR2 2461/4885
US-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS IDO1 4845/4885AXL 3362/4885ESR2 335/4885
US-20200109153-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS KRAS, NRAS, HRAS IDO1 4682/4885AXL 2710/4885ESR2 2214/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS IDO1 4845/4885AXL 3362/4885ESR2 335/4885
US-11136308-B2 Substituted quinazoline and quinazolinone compounds and methods of use thereof KRAS, NRAS, HRAS IDO1 3777/4885AXL 2399/4885ESR2 2196/4885
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF IDO1 3814/4885AXL 2581/4885ESR2 4674/4885
US-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer KRAS, NRAS, HRAS IDO1 1513/4885AXL 3576/4885ESR2 843/4885

“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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