SCHEMBL5069905

SCHEMBL5069905

O=S(=O)(Cc1ccccc1)N1CCc2c[nH]nc2C1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
CNR2 P34972 2/20 0.45
GRM5 P41594 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 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
SCHEMBL5072632 0.83 MAPT (0.43) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL30539315 0.79 KMT2A (0.59) TSHRHPGDKMT2AMEN1ALDH1A1
SCHEMBL7821841 0.79 KMT2A (0.59) TSHRHPGDKMT2AMEN1ALDH1A1
SCHEMBL5070044 0.78 MAPT (0.54) TSHRKMT2AALDH1A1MAPTPOLB
SCHEMBL5072096 0.77 MAP3K5 (0.34) TSHRKMT2AMEN1MAPTRAB9A
SCHEMBL17377025 0.75 MEN1 (0.49) KMT2AMEN1RAB9A
SCHEMBL5136699 0.73 HRH3 (0.47)
SCHEMBL5069414 0.73 KMT2A (0.45) HPGDKMT2AMEN1LMNACYP2C19
SCHEMBL5067933 0.71 CD4 (0.52) KMT2AMEN1ALDH1A1POLBGAA
SCHEMBL31670446 0.71 AKR1C3 (0.53) TSHRHPGDKMT2AMEN1ALDH1A1

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 TSHR 3329/4885HPGD 1060/4885KMT2A 2122/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS TSHR 3226/4885HPGD 736/4885KMT2A 2265/4885

“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.