SCHEMBL21733682

SCHEMBL21733682

COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(C(F)(F)F)c(C3Cc4ncnc(N5CCNCC5)c4CC3C)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.33
MTOR P42345 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
RPS6KB1 P23443 1/20 0.31
AKT1 P31749 1/20 0.31
FLT3 P36888 1/20 0.31
PRMT5 O14744 2/20 0.31
EPHX2 P34913 1/20 0.31
CYP1A2 P05177 4/20 0.31
USP2 O75604 3/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2C19 P33261 3/20 0.31
HSD17B10 Q99714 2/20 0.31
CLK4 Q9HAZ1 2/20 0.31
KRAS P01116 1/20 0.31
KIT P10721 2/20 0.30
ALDH1A1 P00352 3/20 0.30
TP53 P04637 1/20 0.30
GLA P06280 1/20 0.30
CYP2D6 P10635 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
SCHEMBL30177935 1.00 HTR3A (0.33) HTR3AMTORTLR7RPS6KB1AKT1
SCHEMBL21733503 0.88 KRAS (0.34) HTR3AMTORTLR7PRMT5CYP1A2
SCHEMBL21733667 0.87 KRAS (0.45) AKT1KRAS
SCHEMBL21722220 0.87 RPS6KB1 (0.34) HTR3AMTORTLR7RPS6KB1AKT1
Ammonia Solution, Strong SCHEMBL28501192 0.81 FGFR1 (0.33) HTR3AMTORTLR7RPS6KB1AKT1
SCHEMBL24855323 0.81 EPHX2 (0.34) RPS6KB1EPHX2CYP1A2CYP2C19KRAS
SCHEMBL21734095 0.80 QPCT (0.35) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL30834553 0.79 HRH4 (0.38) MTORRPS6KB1AKT1EPHX2CYP1A2
SCHEMBL21733850 0.77 CACNA1S (0.31) ALDH1A1
SCHEMBL21722246 0.76 KIT (0.32) HTR3ATLR7RPS6KB1AKT1CYP1A2

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
CN-112119075-A Fused ring compound 豪夫迈·罗氏有限公司 2020-12-22 CN 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 HTR3A 4652/4885MTOR 145/4885TLR7 4639/4885

“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.