SCHEMBL12801992

SCHEMBL12801992

CCCn1cc(Nc2nc(Cc3ccccc3C#N)c3cn[nH]c3n2)c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.37
CYP1A2 P05177 3/20 0.37
SGK1 O00141 1/20 0.35
CREBBP Q92793 1/20 0.33
JAK3 P52333 3/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
PTK6 Q13882 1/20 0.32
BTK Q06187 2/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
PLK4 O00444 4/20 0.31
PAK4 O96013 3/20 0.31
MAP3K14 Q99558 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL12801991 0.87 LRRK2 (0.42) LRRK2CYP1A2JAK3JAK2JAK1
SCHEMBL1662522 0.73 PTK6 (0.42) LRRK2CYP1A2JAK3PTK6PLK4
SCHEMBL12801967 0.71 LRRK2 (0.41) LRRK2CYP1A2CREBBPJAK3JAK2
SCHEMBL4542875 0.69 LRRK2 (0.59) LRRK2CYP1A2
SCHEMBL1664797 0.66 LRRK2 (0.36) LRRK2CYP1A2JAK2JAK1PLK4
SCHEMBL1662570 0.64 LRRK2 (0.42) LRRK2PLK4PAK4HTR2AHTR2C
SCHEMBL12801929 0.64 LRRK2 (0.44) LRRK2CYP1A2CREBBPJAK3JAK2
SCHEMBL1665604 0.63 LRRK2 (0.48) LRRK2CYP1A2CREBBPJAK3JAK2
SCHEMBL1662494 0.62 SGK1 (0.34) SGK1HTR2AHTR2C
SCHEMBL1662412 0.61 PAK4 (0.45) LMNATP53PLK4PAK4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 LRRK2 2904/4885CYP1A2 592/4885SGK1 1537/4885

“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.