SCHEMBL21733779

SCHEMBL21733779

Cc1ccc2cnn(C3CCCCO3)c2c1C1CCc2c(ncnc2N2CCNCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.37
ATR Q13535 5/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CDK4 P11802 2/20 0.32
CCND1 P24385 2/20 0.32
DRD2 P14416 1/20 0.32
PDE10A Q9Y233 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
TSHR P16473 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GRM7 Q14831 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
RECQL P46063 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
SCHEMBL30834532 1.00 KRAS (0.37) KRASATRCYP4F2CYP4A11CDK4
SCHEMBL30834509 0.88 KRAS (0.41) KRASATRCYP4F2CYP4A11CDK4
SCHEMBL21733669 0.88 KRAS (0.41) KRASATRCYP4F2CYP4A11CDK4
SCHEMBL21733813 0.86 KRAS (0.48) KRAS
SCHEMBL30834537 0.86 KRAS (0.48) KRAS
SCHEMBL21734021 0.81 KRAS (0.38) KRASDRD2TSHRKMT2AGRM7
SCHEMBL30834498 0.80 CYP4F2 (0.35) ATRCYP4F2CYP4A11RXRARXRB
SCHEMBL21733780 0.80 CYP4F2 (0.35) ATRCYP4F2CYP4A11RXRARXRB
SCHEMBL21722208 0.77 KRAS (0.48) KRASATRCYP4F2CYP4A11RXRA
SCHEMBL21733673 0.76 KRAS (0.52) KRASRXRARXRBRXRGGRM7

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 1/4885ATR 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.