SCHEMBL21733504

SCHEMBL21733504

Cc1ccc2c(cnn2C2CCCCO2)c1C1Cc2ncnc(N3CCN(C(=O)/C=C/CN(C)C(=O)OC(C)(C)C)CC3)c2CC1C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KRAS P01116 7/20 0.48
KIT P10721 2/20 0.32
BTK Q06187 1/20 0.31
ATR Q13535 3/20 0.31
JAK3 P52333 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
SCHEMBL21722284 0.85 KRAS (0.65) KRASBTKJAK3
SCHEMBL28501194 0.85 KRAS (0.44) KRASKITATR
SCHEMBL21722208 0.79 KRAS (0.48) KRASATR
SCHEMBL21243885 0.76 KRAS (0.41) KRASKITATR
SCHEMBL21243891 0.76 KIT (0.39) KRASKIT
SCHEMBL21243944 0.75 KRAS (0.48) KRASKITATR
SCHEMBL21733673 0.75 KRAS (0.52) KRASBTKJAK3
SCHEMBL30834490 0.75 KRAS (0.52) KRASBTKJAK3
SCHEMBL21722212 0.75 KRAS (0.40) KRASKITATR
SCHEMBL21733530 0.74 KRAS (0.39) KRASKITATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 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
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 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 (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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS KRAS 1/4885KIT 1265/4885BTK 2429/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS KRAS 1/4885KIT 1265/4885BTK 2429/4885

“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.