SCHEMBL3099285

SCHEMBL3099285

Cc1ccc(-c2ncn(Cc3cc(Br)ccc3F)c2CN)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.35
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
TLR7 Q9NYK1 1/20 0.32
CHRM1 P11229 1/20 0.32
PDE2A O00408 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALOX5AP P20292 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
NSD2 O96028 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
SCHEMBL3090253 0.88 TLR7 (0.35) BRD4BRD2BRD3BRDTTLR7
SCHEMBL3087445 0.84 DPP4 (0.37) BRD4BRD2BRD3BRDTTLR7
SCHEMBL3088975 0.82 DPP4 (0.40) BRD4BRD2BRD3BRDT
SCHEMBL3259669 0.81 CNR1 (0.35) BRD4BRD2BRD3BRDTPDE2A
SCHEMBL3092568 0.76 LMNA (0.43) TNFCHRM1MEN1KMT2AALDH1A1
SCHEMBL3096790 0.75 DPP4 (0.40) NSD2
SCHEMBL3078359 0.74 BCL2L2 (0.43) TNFTP53MEN1KMT2ATSHR
SCHEMBL3591522 0.73 DPP4 (0.35) BRD4BRD2BRD3BRDT
SCHEMBL3600454 0.73 NSD2 (0.33) TNFTLR7MEN1KMT2AKDM4E
SCHEMBL3089159 0.72 CNR1 (0.40) PDE2ATP53

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 TNF 3226/4885BRD4 2194/4885BRD2 3200/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 TNF 3518/4885BRD4 2344/4885BRD2 3060/4885

“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.