SCHEMBL16282946

SCHEMBL16282946

CC(C)(C)c1ccnc(N2CCC(N)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.52
HRH3 Q9Y5N1 4/20 0.52
PDE2A O00408 1/20 0.48
PDE3A Q14432 1/20 0.48
KARS1 Q15046 1/20 0.46
SYK P43405 1/20 0.44
DPP4 P27487 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
ADRB1 P08588 1/20 0.40
LRRK2 Q5S007 2/20 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
SCHEMBL19959073 0.88 HRH4 (0.44) HRH4HRH3PDE2APDE3AKARS1
SCHEMBL1352123 0.86 ADRB1 (0.57) HRH4HRH3KARS1SYKDPP4
SCHEMBL5086363 0.86 ADRB1 (0.57) HRH4HRH3KARS1SYKDPP4
SCHEMBL1352121 0.86 ADRB1 (0.57) HRH4HRH3KARS1SYKDPP4
SCHEMBL20132972 0.84 PDE2A (0.49) HRH4HRH3PDE2APDE3ASYK
SCHEMBL14349617 0.83 PDE2A (0.48) HRH3PDE2APDE3ADPP4DPP7
SCHEMBL1350907 0.81 KARS1 (0.60) HRH4HRH3KARS1SYKDPP4
SCHEMBL22755428 0.81 ADRB1 (0.47) HRH4HRH3PDE2APDE3AADRB1
SCHEMBL1350904 0.81 KARS1 (0.60) HRH4HRH3KARS1SYKDPP4
SCHEMBL25964570 0.80 PDE2A (0.44) HRH4HRH3PDE2APDE3ADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 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 (1 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-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 HRH4 3134/4885HRH3 3509/4885PDE2A 1036/4885

“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.