SCHEMBL5137692

SCHEMBL5137692

c1csc(CN2CCc3c[nH]nc3C2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
HTT P42858 1/20 0.46
DRD4 P21917 8/20 0.42
DRD3 P35462 5/20 0.42
DRD2 P14416 5/20 0.41
HTR1A P08908 2/20 0.41
HTR2A P28223 2/20 0.41
GABRA1 P14867 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SIGMAR1 Q99720 2/20 0.39
DRD5 P21918 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
SCHEMBL17377025 0.78 MEN1 (0.49) DRD4DRD3HTR1ASIGMAR1MEN1
SCHEMBL5136998 0.76 HTR1A (0.41) ALDH1A1KDM4ETSHRHTTDRD2
SCHEMBL21509746 0.76 ALDH1A1 (0.64) ALDH1A1HSD17B10KDM4EALOX15TSHR
SCHEMBL5134823 0.73 CHRNB2 (0.51) ALDH1A1KDM4ETSHRDRD2SMN1; SMN2
SCHEMBL5136701 0.72 PNMT (0.41) DRD2
SCHEMBL1171381 0.70 SIGMAR1 (0.46) SIGMAR1MEN1KMT2ANPC1
SCHEMBL5136699 0.70 HRH3 (0.47) DRD2HTR1ASIGMAR1
SCHEMBL5134842 0.70 PNMT (0.43) ALDH1A1KDM4EDRD4DRD3DRD2
SCHEMBL5446684 0.69 HSD17B10 (0.53) ALDH1A1HSD17B10KDM4EALOX15TSHR
SCHEMBL6973623 0.69 ALDH1A1 (0.63) ALDH1A1HSD17B10KDM4EALOX15TSHR

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
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7109340-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2006-09-19 US disclosed
US-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE AVENTIS PHARMA S.A. (FR) 2006-09-07 US disclosed
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2005-05-05 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 (2 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-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE BRD4, TP53, HCCS ALDH1A1 1455/4885HSD17B10 4005/4885KDM4E 749/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS ALDH1A1 1672/4885HSD17B10 4281/4885KDM4E 804/4885

“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.