SCHEMBL10134985

SCHEMBL10134985

CC(=O)N1CCN(c2nc3cc(C#N)ccc3c3sccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 6/20 0.44
GBA1 P04062 1/20 0.44
HRH4 Q9H3N8 1/20 0.42
CNR2 P34972 1/20 0.41
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRIA1 P42261 2/20 0.39
EGLN2 Q96KS0 1/20 0.39
RECQL P46063 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
GPR6 P46095 1/20 0.39

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
SCHEMBL10134989 0.87 HRH4 (0.55) CSNK2A1HRH4KDM4EALDH1A1TSHR
SCHEMBL10134998 0.86 GBA1 (0.49) CSNK2A1GBA1EGLN2IRAK4
SCHEMBL13688010 0.84 CSNK2A1 (0.47) CSNK2A1GBA1HRH4CNR2KDM4E
SCHEMBL10134893 0.83 HRH4 (0.51) CSNK2A1HRH4KDM4EALDH1A1TSHR
SCHEMBL10134999 0.82 HTR2C (0.48) CSNK2A1HRH4LMNA
SCHEMBL10134897 0.81 HRH1 (0.47) CSNK2A1HRH4KDM4EALDH1A1TSHR
SCHEMBL10134981 0.80 SMPD3 (0.47) CSNK2A1HRH4IRAK4
SCHEMBL10134961 0.79 HRH4 (0.40) CSNK2A1HRH4TSHREGLN2IRAK4
SCHEMBL10134976 0.78 ALDH1A1 (0.47) CSNK2A1HRH4LMNAKDM4EALDH1A1
SCHEMBL10134978 0.77 GRIA1 (0.41) CSNK2A1HRH4LMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 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-20120208792-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 CSNK2A1 680/4885GBA1 3864/4885HRH4 4420/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 CSNK2A1 680/4885GBA1 3864/4885HRH4 4420/4885

“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.