SCHEMBL12802002

SCHEMBL12802002

Nc1cnn(CCCN2CCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.38
HRH4 Q9H3N8 7/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
HRH1 P35367 2/20 0.33
EHMT2 Q96KQ7 1/20 0.33
EHMT1 Q9H9B1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL18410254 0.97 HRH3 (0.41) HRH3HRH4MAPTLMNAALDH1A1
SCHEMBL1665137 0.95 HRH3 (0.43) HRH3HRH4MAPTLMNAALDH1A1
SCHEMBL14699099 0.92 HRH3 (0.45) HRH3HRH4ALDH1A1SIGMAR1HRH1
SCHEMBL1662775 0.87 HRH4 (0.43) HRH3HRH4MAPTLMNAALDH1A1
SCHEMBL1703040 0.86 SIGMAR1 (0.41) HRH3MAPTLMNAALDH1A1PKM
SCHEMBL19287360 0.85 CXCR4 (0.42) HRH3MAPTLMNAALDH1A1PKM
SCHEMBL1662821 0.85 MAPT (0.45) HRH3HRH4MAPTLMNAALDH1A1
SCHEMBL1703940 0.84 SIGMAR1 (0.43) HRH3MAPTLMNAALDH1A1PKM
SCHEMBL14699053 0.81 HTR1A (0.45) HRH3HRH4ALDH1A1HRH1
SCHEMBL14699334 0.78 HTR1A (0.45) HRH3ALDH1A1SIGMAR1HRH1

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 HRH3 257/4885HRH4 69/4885MAPT 4393/4885

“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.