SCHEMBL21734011

SCHEMBL21734011

Cc1ccc2c(c1[C@@H]1CCc3c(ncnc3N3CCNCC3)C1)COC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.41
DRD2 P14416 1/20 0.35
HTR2C P28335 8/20 0.35
KMT2A Q03164 4/20 0.34
TSHR P16473 3/20 0.34
MEN1 O00255 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP2C19 P33261 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2B P41595 2/20 0.33
GRM7 Q14831 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
TLR7 Q9NYK1 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
SCHEMBL21722231 1.00 KRAS (0.41) KRASDRD2HTR2CKMT2ATSHR
SCHEMBL30834506 1.00 KRAS (0.41) KRASDRD2HTR2CKMT2ATSHR
SCHEMBL30177830 0.83 KRAS (0.55) KRAS
SCHEMBL30178056 0.83 KRAS (0.55) KRAS
SCHEMBL30178092 0.83 KRAS (0.55) KRAS
SCHEMBL21733742 0.83 KRAS (0.55) KRAS
SCHEMBL21722141 0.83 KRAS (0.55) KRAS
SCHEMBL21733735 0.83 KRAS (0.55) KRAS
SCHEMBL21243935 0.81 KRAS (0.61) KRASHTR2CKMT2ATSHRMEN1
SCHEMBL24854457 0.76 KRAS (0.41) KRASDRD2HTR2CKMT2ATSHR

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 1/4885DRD2 4826/4885HTR2C 4653/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS KRAS 1/4885DRD2 4826/4885HTR2C 4653/4885

“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.