SCHEMBL21733669

SCHEMBL21733669

Cc1ccc2c(cnn2C2CCCCO2)c1C1CCc2c(ncnc2N2CCNCC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.41
GRM7 Q14831 1/20 0.39
ATR Q13535 4/20 0.35
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
DRD2 P14416 1/20 0.32
HTR2C P28335 2/20 0.32
SLC2A1 P11166 1/20 0.31
SLC2A2 P11168 1/20 0.31
SLC2A3 P11169 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 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
SCHEMBL30834509 1.00 KRAS (0.41) KRASGRM7ATRCYP4F2CYP4A11
SCHEMBL30834532 0.88 KRAS (0.37) KRASGRM7ATRCYP4F2CYP4A11
SCHEMBL21733779 0.88 KRAS (0.37) KRASGRM7ATRCYP4F2CYP4A11
SCHEMBL21733673 0.87 KRAS (0.52) KRASGRM7RXRARXRBRXRG
SCHEMBL30834490 0.87 KRAS (0.52) KRASGRM7RXRARXRBRXRG
SCHEMBL21722208 0.87 KRAS (0.48) KRASATRCYP4F2CYP4A11RXRA
SCHEMBL21243885 0.86 KRAS (0.41) KRASATR
SCHEMBL21243918 0.81 GRM7 (0.41) KRASGRM7ATRCYP4F2CYP4A11
SCHEMBL24854457 0.81 KRAS (0.41) KRASGRM7DRD2HTR2CCYP1A2
SCHEMBL21243935 0.77 KRAS (0.61) KRASGRM7HTR2CCYP1A2CYP3A4

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 3 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-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 1/4885GRM7 2937/4885ATR 1578/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS KRAS 1/4885GRM7 2937/4885ATR 1578/4885

“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.