SCHEMBL5134823

SCHEMBL5134823

c1cncc(CN2CCc3c[nH]nc3C2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
DRD2 P14416 1/20 0.46
KCNH2 Q12809 1/20 0.46
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TRPV6 Q9H1D0 1/20 0.43
CYP17A1 P05093 2/20 0.43
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
COMT P21964 1/20 0.41
CLPP Q16740 1/20 0.41
GFER P55789 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41

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 0.85 MEN1 (0.49) CLPP
SCHEMBL5142455 0.78 CHRNB2 (0.52) CHRNB2CHRNA4DRD2KCNH2PRMT5
SCHEMBL1171381 0.77 SIGMAR1 (0.46)
SCHEMBL1171272 0.75 SIGMAR1 (0.50) DRD2KCNH2CLPP
SCHEMBL5136699 0.75 HRH3 (0.47) DRD2
SCHEMBL15319631 0.74 MEN1 (0.56) CLPP
SCHEMBL5137692 0.73 ALDH1A1 (0.55) DRD2SMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL5134651 0.73 HRH3 (0.54) DRD2
SCHEMBL16026435 0.72 CHRNB2 (0.85) CHRNB2CHRNA4DRD2TRPV6KDM4E
SCHEMBL6972852 0.72 DRD2 (0.57) CHRNB2CHRNA4DRD2KCNH2PRMT5

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 CHRNB2 4505/4885CHRNA4 3347/4885DRD2 4026/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS CHRNB2 4239/4885CHRNA4 2738/4885DRD2 3976/4885

“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.