SCHEMBL7601603

SCHEMBL7601603

CCn1c(=O)c(C)nc2ccc(C)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.53
TLR8 Q9NR97 1/20 0.48
POLB P06746 1/20 0.47
NLRP3 Q96P20 1/20 0.47
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
RAB9A P51151 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
MMP2 P08253 3/20 0.42
MGAM O43451 1/20 0.41
BTK Q06187 2/20 0.41

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
SCHEMBL10054049 0.87 NLRP3 (0.61) TLR8POLBNLRP3KDM4EALDH1A1
SCHEMBL982527 0.84 MAPK1 (0.66) ACSS2TLR8POLBNLRP3KDM4E
SCHEMBL980698 0.82 PDE4A (0.54) ACSS2TLR8NLRP3KDM4EALDH1A1
SCHEMBL983125 0.82 ACSS2 (0.49) ACSS2TLR8NLRP3KDM4EALDH1A1
SCHEMBL5985211 0.81 ACSS2 (0.51) ACSS2TLR8POLBNLRP3KDM4E
SCHEMBL979684 0.80 KDM4E (0.69) POLBKDM4EALDH1A1HPGDMAPK1
SCHEMBL983242 0.80 KDM4E (0.49) ACSS2TLR8NLRP3KDM4EALDH1A1
SCHEMBL21803210 0.80 ACSS2 (0.55) ACSS2TLR8NLRP3KDM4ELMNA
SCHEMBL14112981 0.77 ACSS2 (0.52) ACSS2TLR8NLRP3KDM4EALDH1A1
SCHEMBL23510565 0.74 KDM4E (0.48) ACSS2TLR8NLRP3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 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 (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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 ACSS2 2388/4885TLR8 3850/4885POLB 805/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 ACSS2 1982/4885TLR8 3650/4885POLB 947/4885

“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.