SCHEMBL3822672

SCHEMBL3822672

Cc1cccc(-n2nc(C)c(C(N)=O)c2C)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.59
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 4/20 0.48
PDE4D Q08499 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SCN9A Q15858 1/20 0.47
PDE4B Q07343 1/20 0.47
RPA1 P27694 1/20 0.46

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
SCHEMBL28524227 0.84 RAB9A (0.64) ALDH1A1RAB9ANPC1MAPTPDE4D
SCHEMBL6070622 0.81 PDE4D (0.76) ALDH1A1RAB9ANPC1MAPTPDE4D
SCHEMBL13982922 0.78 RIPK2 (0.61) RIPK2ALDH1A1RAB9ANPC1MAPT
SCHEMBL11654025 0.77 ALDH1A1 (0.46) RIPK2ALDH1A1RAB9ANPC1MAPT
SCHEMBL23402128 0.76 ALDH1A1 (0.54) RIPK2ALDH1A1RAB9ANPC1MAPT
SCHEMBL11653918 0.76 SMN1; SMN2 (0.69) RIPK2ALDH1A1RAB9ANPC1MAPT
SCHEMBL15428639 0.75 ALDH1A1 (0.60) RIPK2ALDH1A1SCN9ARPA1
SCHEMBL11654019 0.74 ALDH1A1 (0.49) RIPK2ALDH1A1RAB9ANPC1MAPT
SCHEMBL3828501 0.74 NPC1 (0.57) RAB9ANPC1
SCHEMBL2201890 0.73 LMNA (0.64) ALDH1A1RAB9ANPC1MAPTPDE4D

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 4 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

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 RIPK2 2526/4885ALDH1A1 775/4885RAB9A 4343/4885

“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.