SCHEMBL21722220

SCHEMBL21722220

COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(C(F)(F)F)c(C3CCc4c(ncnc4N4CCNCC4)C3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 4/20 0.34
AKT1 P31749 2/20 0.34
KIT P10721 3/20 0.32
MTOR P42345 1/20 0.31
HTR3A P46098 1/20 0.31
GRM7 Q14831 1/20 0.31
FLT3 P36888 1/20 0.31
EPHX2 P34913 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
MAPT P10636 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
AKT1S1 Q96B36 1/20 0.30
AR P10275 1/20 0.30
UTS2R Q9UKP6 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
SCHEMBL21722246 0.88 KIT (0.32) RPS6KB1AKT1KITHTR3AUSP2
SCHEMBL21733723 0.87 KRAS (0.39)
SCHEMBL30834513 0.87 KRAS (0.39)
SCHEMBL21733682 0.87 HTR3A (0.33) RPS6KB1AKT1KITMTORHTR3A
SCHEMBL30177935 0.87 HTR3A (0.33) RPS6KB1AKT1KITMTORHTR3A
Ammonia Solution, Strong SCHEMBL28497081 0.81 RPS6KB1 (0.35) RPS6KB1AKT1KITMTORUSP2
SCHEMBL24854578 0.81 EPHX2 (0.34) RPS6KB1AKT1EPHX2CYP1A2CYP2C19
SCHEMBL21734105 0.80 GRM7 (0.34) GRM7HSD17B10
SCHEMBL30834561 0.79 RPS6KB1 (0.33) RPS6KB1AKT1KITUSP2CYP1A2
SCHEMBL30834529 0.78 EPHX2 (0.38) RPS6KB1AKT1EPHX2CYP1A2CYP2C19

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 5 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
CN-112119075-A Fused ring compound 豪夫迈·罗氏有限公司 2020-12-22 CN 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 (1 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 RPS6KB1 27/4885AKT1 29/4885KIT 1265/4885

“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.