SCHEMBL3090253

SCHEMBL3090253

COc1ccc(-c2ncn(Cc3cc(Br)ccc3F)c2CN)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.35
BCL2L2 Q92843 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RX7 Q99572 1/20 0.33
CRHR1 P34998 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TLR8 Q9NR97 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR3C2 P08235 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL3099285 0.88 TNF (0.35) TLR7BRD4BRD2BRD3BRDT
SCHEMBL3087445 0.80 DPP4 (0.37) TLR7BRD4BRD2BRD3BRDT
SCHEMBL3088975 0.79 DPP4 (0.40) BRD4BRD2BRD3BRDT
SCHEMBL3259669 0.78 CNR1 (0.35) BRD4BRD2BRD3BRDTP2RX7
SCHEMBL3595101 0.70 DPP4 (0.43) BCL2L2HSD17B10ALDH1A1TSHRMEN1
SCHEMBL3591522 0.70 DPP4 (0.35) BRD4BRD2BRD3BRDT
SCHEMBL3089159 0.69 CNR1 (0.40) P2RX7ROCK2MAPT
SCHEMBL13316370 0.69 DPP4 (0.41) HSD17B10TSHR
SCHEMBL3088784 0.69 HPGD (0.43) BCL2L2HPGDTSHRP2RX7ROCK2
SCHEMBL3084453 0.68 CNR1 (0.45)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
WO-2007116092-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 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 (2 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-20070244177-A1 ENZYME INHIBITORS ACHE, BACE1, MAOA TLR7 4312/4885BCL2L2 4168/4885BRD4 2194/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 TLR7 4406/4885BCL2L2 3933/4885BRD4 2344/4885

“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.