SCHEMBL2680185

SCHEMBL2680185

COC(=O)c1ccc2c(c1)c(-c1c(F)cccc1F)nc1c(Br)n(COCC[Si](C)(C)C)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KLKB1 P03952 1/20 0.34
NPC1 O15118 2/20 0.34
PTGES O14684 2/20 0.33
NQO2 P16083 1/20 0.33
RAB9A P51151 1/20 0.33
HTR5A P47898 3/20 0.32
ADORA2A P29274 2/20 0.31
TLR7 Q9NYK1 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
F2RL1 P55085 1/20 0.31
RORC P51449 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
SCHEMBL695587 0.92 DGAT1 (0.36) DGAT1NPC1PTGESHTR5ARORC
SCHEMBL2680420 0.88 DGAT1 (0.37) DGAT1KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL694742 0.84 DGAT1 (0.36) DGAT1
SCHEMBL694926 0.84 DGAT1 (0.38) DGAT1NPC1PTGESF2RL1
SCHEMBL695328 0.84 DGAT1 (0.35) DGAT1
SCHEMBL695613 0.82 DGAT1 (0.35) DGAT1
SCHEMBL693668 0.82 DGAT1 (0.35) DGAT1
SCHEMBL694992 0.81 DGAT1 (0.35) DGAT1
SCHEMBL2680003 0.81 CDK2 (0.35) SMN1; SMN2KLKB1LMNATSHR
SCHEMBL700170 0.80 ROCK2 (0.34) DGAT1

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-8461175-B2 1-pyrazolo[4,3-c]isoquinoline derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2013-06-11 US disclosed
US-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 US 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-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CBR3, CYP4F3, HCCS DGAT1 3755/4885KDM4E 3364/4885ALDH1A1 356/4885

“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.