SCHEMBL3825587

SCHEMBL3825587

Cc1ncc(CN)c(C2CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
HSD11B1 P28845 2/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PKM P14618 1/20 0.33
AOC1 P19801 2/20 0.32
PDE10A Q9Y233 1/20 0.32
TKT P29401 1/20 0.32
AOC3 Q16853 2/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
Hydrochloric Acid SCHEMBL3825409 0.98 LMNA (0.39) LMNAHSD11B1PDK1PDK2KDM4E
SCHEMBL3825081 0.84 LMNA (0.38) LMNAHSD11B1PDK1PDK2KDM4E
SCHEMBL25790141 0.80 HSD11B1 (0.33) LMNAHSD11B1PDK1PDK2
SCHEMBL3821577 0.79 TKT (0.37) AOC1TKTAOC3TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL3830568 0.78 TKT (0.36) AOC1TKTAOC3TMEM97SIGMAR1
SCHEMBL25779726 0.77 HSD11B1 (0.36) LMNAHSD11B1PDK1PDK2PKM
SCHEMBL14677401 0.74 LMNA (0.46) LMNAKDM4ETKT
SCHEMBL15933175 0.73 HSD11B1 (0.36) HSD11B1PDK1PDK2PKMTMEM97
SCHEMBL3825476 0.73 TKT (0.41) LMNAKDM4EPDE10ATKT
SCHEMBL29895545 0.72 LMNA (0.63) LMNAKDM4ETKT

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
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP claimed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US claimed
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 LMNA 2209/4885HSD11B1 87/4885PDK1 51/4885

“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.