SCHEMBL10134963

SCHEMBL10134963

N#Cc1ccc2c(c1)nc(N1CCC(N3CCCC3)CC1)c1ccsc12

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.45
KCNH2 Q12809 2/20 0.42
IRAK4 Q9NWZ3 2/20 0.41
ACVR1 Q04771 1/20 0.39
CSNK2A1 P68400 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
ALK Q9UM73 2/20 0.38

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
SCHEMBL10134945 0.91 IRAK4 (0.43) HRH3IRAK4CSNK2A1ALK
SCHEMBL13688061 0.84 CSNK2A1 (0.40) HRH3CSNK2A1
SCHEMBL10134961 0.83 HRH4 (0.40) IRAK4CSNK2A1HRH4ALK
SCHEMBL10134989 0.82 HRH4 (0.55) HRH3CSNK2A1HRH4
SCHEMBL10134999 0.82 HTR2C (0.48) HRH3KCNH2CSNK2A1HRH4
SCHEMBL10134996 0.82 PRKCI (0.46) KCNH2CSNK2A1HRH4
SCHEMBL10134893 0.81 HRH4 (0.51) CSNK2A1HRH4
SCHEMBL10134906 0.80 EGLN2 (0.42) CSNK2A1
SCHEMBL10134981 0.78 SMPD3 (0.47) IRAK4CSNK2A1HRH4
SCHEMBL10134985 0.77 CSNK2A1 (0.44) IRAK4CSNK2A1HRH4

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 HRH3 4273/4885KCNH2 3852/4885IRAK4 844/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 HRH3 4273/4885KCNH2 3852/4885IRAK4 844/4885

“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.