SCHEMBL21734095

SCHEMBL21734095

COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(C(F)(F)F)c(C3Cc4nc[nH]c(=O)c4CC3C)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
SRC P12931 2/20 0.32
CACNA1S Q13698 3/20 0.32
POLB P06746 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
LMNA P02545 2/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 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
SCHEMBL21733452 0.86 QPCT (0.36) QPCTSRCFABP4
SCHEMBL21734105 0.85 GRM7 (0.34) QPCTKMT2AMEN1ALDH1A1GAA
SCHEMBL21733850 0.82 CACNA1S (0.31) KMT2AMEN1ALDH1A1GAACACNA1S
SCHEMBL30177935 0.80 HTR3A (0.33) ALDH1A1CYP1A2CYP3A4CYP2D6HTR2C
SCHEMBL21733682 0.80 HTR3A (0.33) ALDH1A1CYP1A2CYP3A4CYP2D6HTR2C
SCHEMBL24854602 0.79 PARP1 (0.32) PARP1
SCHEMBL21733856 0.79 CACNA1S (0.33) KMT2AMEN1ALDH1A1GAACACNA1S
SCHEMBL21733899 0.78 ALDH1A1 (0.34) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL21733667 0.76 KRAS (0.45)
SCHEMBL24855227 0.74 POLB (0.31) POLB

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 2 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
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 QPCT 2330/4885KMT2A 3557/4885MEN1 2354/4885

“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.