SCHEMBL21722208

SCHEMBL21722208

Cc1ccc2c(cnn2C2CCCCO2)c1C1Cc2ncnc(N3CCNCC3)c2CC1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 3/20 0.48
ATR Q13535 9/20 0.39
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
SLC2A1 P11166 1/20 0.33
SLC2A2 P11168 1/20 0.33
SLC2A3 P11169 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32

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 0.87 KRAS (0.65) KRAS
SCHEMBL30834509 0.87 KRAS (0.41) KRASATRCYP4F2CYP4A11RXRA
SCHEMBL21733669 0.87 KRAS (0.41) KRASATRCYP4F2CYP4A11RXRA
SCHEMBL21722146 0.82 KRAS (0.35) KRASATRCYP4F2CYP4A11RXRA
SCHEMBL21734017 0.81 KRAS (0.49) KRASCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL28501194 0.80 KRAS (0.44) KRASATR
SCHEMBL21733504 0.79 KRAS (0.48) KRASATR
SCHEMBL21733779 0.77 KRAS (0.37) KRASATRCYP4F2CYP4A11RXRA
SCHEMBL30834532 0.77 KRAS (0.37) KRASATRCYP4F2CYP4A11RXRA
SCHEMBL21722188 0.75 CYP4F2 (0.37) ATRCYP4F2CYP4A11RXRARXRB

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-112119075-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed
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
EP-3746436-A1 FUSED RING COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-12-09 EP disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 WO 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 1/4885ATR 1578/4885CYP4F2 813/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS KRAS 1/4885ATR 1578/4885CYP4F2 813/4885

“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.