SCHEMBL10134989

SCHEMBL10134989

CN1CCN(c2nc3cc(C#N)ccc3c3sccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.55
TSHR P16473 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 1/20 0.48
NSD2 O96028 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
CSNK2A1 P68400 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42

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
SCHEMBL10134893 0.96 HRH4 (0.51) HRH4TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL10134999 0.88 HTR2C (0.48) HRH4CYP1A2CYP3A4CYP2D6TP53
SCHEMBL10134897 0.87 HRH1 (0.47) HRH4TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL10134985 0.87 CSNK2A1 (0.44) HRH4TSHRKDM4EALDH1A1CSNK2A1
SCHEMBL10134961 0.85 HRH4 (0.40) HRH4TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL10134976 0.84 ALDH1A1 (0.47) HRH4TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL10134963 0.82 HRH3 (0.45) HRH4CSNK2A1HRH3
SCHEMBL10134996 0.81 PRKCI (0.46) HRH4CSNK2A1
SCHEMBL10134906 0.81 EGLN2 (0.42) CSNK2A1
SCHEMBL10134978 0.80 GRIA1 (0.41) HRH4CYP1A2CYP3A4CYP2D6KDM4E

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 HRH4 4420/4885TSHR 3095/4885CYP1A2 4109/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 HRH4 4420/4885TSHR 3095/4885CYP1A2 4109/4885

“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.