SCHEMBL10132292

SCHEMBL10132292

CN1CCN(c2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.43
HRH1 P35367 3/20 0.43
HRH3 Q9Y5N1 3/20 0.43
CSNK2A1 P68400 4/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
ROCK2 O75116 1/20 0.36
HTR6 P50406 1/20 0.36
HTR1A P08908 1/20 0.35
HTR2C P28335 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL13687896 0.87 CSNK2A1 (0.35) HRH4HRH1HRH3CSNK2A1
SCHEMBL10132286 0.84 CSNK2A1 (0.36) HRH3CSNK2A1
SCHEMBL10132277 0.83 PRKCI (0.44) HRH4CSNK2A1ROCK2
SCHEMBL10132255 0.81 CSNK2A1 (0.48) CSNK2A1
SCHEMBL10132212 0.77 CSNK2A1 (0.42) CSNK2A1KDM4EALDH1A1
SCHEMBL10132264 0.77 CSNK2A1 (0.43) CSNK2A1
SCHEMBL10132312 0.76 CSNK2A1 (0.60) CSNK2A1
SCHEMBL10132296 0.75 CSNK2A1 (0.55) CSNK2A1
SCHEMBL10132322 0.74 CSNK2A1 (0.42) CSNK2A1
SCHEMBL10134989 0.73 HRH4 (0.55) HRH4HRH1HRH3CSNK2A1HTR3E

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 5 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-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 4420/4885HRH1 4390/4885HRH3 4273/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 HRH4 4420/4885HRH1 4390/4885HRH3 4273/4885

“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.