SCHEMBL21733469

SCHEMBL21733469

CCOC(=O)C1CC(C)C(c2nc(N(C)Cc3ccc(OC)cc3)cc(C)c2C(F)(F)F)CC1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
KMT2A Q03164 1/20 0.30
PDE2A O00408 1/20 0.30
ALDH1A1 P00352 3/20 0.30
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
TP53 P04637 1/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
FABP4 P15090 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
SCHEMBL21733660 0.93 HCRTR2 (0.32) HCRTR2SMN1; SMN2LTB4R2KMT2APDE2A
SCHEMBL28490711 0.89 TUBB3 (0.33) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL21733931 0.83 PDE2A (0.33) LTB4R2PDE2AFABP4
SCHEMBL21733627 0.83 TP53 (0.33) HCRTR2SMN1; SMN2LTB4R2ALDH1A1HTT
SCHEMBL24854893 0.82 KDM4E (0.32) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL21733844 0.82 POLB (0.33) HCRTR2MAPTKMT2APDE2AALDH1A1
SCHEMBL21733471 0.81 ALDH1A1 (0.33) SMN1; SMN2MAPTKMT2APDE2AALDH1A1
SCHEMBL21733858 0.80 PDE10A (0.33) SMN1; SMN2MAPTKMT2AALDH1A1KDM4E
SCHEMBL21733838 0.79 TP53 (0.32) HCRTR2LTB4R2ALDH1A1TP53USP2
SCHEMBL26268266 0.79 TP53 (0.32) HCRTR2LTB4R2ALDH1A1TP53USP2

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 HCRTR2 4007/4885SMN1; SMN2 3687/4885MAPT 3269/4885

“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.