Sugi Predict

Sugi Predict / Compounds / SCHEMBL5070030

SCHEMBL5070030

SCHEMBL5070030

Cc1cc(N)c(NC(=O)c2[nH]nc3c2CCN(C(=O)OC(C)(C)C)C3)cc1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F12 P00748 3/20 0.41
▸ NR1H2 P55055 1/20 0.40
▸ C5AR1 P21730 2/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ PARP2 Q9UGN5 1/20 0.38
▸ IGF1R P08069 1/20 0.37
▸ ESR2 Q92731 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MKNK1 Q9BUB5 2/20 0.36
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ CDK13 Q14004 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35

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
SCHEMBL5069421 0.86 F12 (0.44) F12NR1H2C5AR1ADORA1PARP1
SCHEMBL13374010 0.83 RBP4 (0.41) F12NR1H2C5AR1ADORA1ESR2
SCHEMBL14031886 0.80 PARP1 (0.42) F12NR1H2ADORA1PARP1TNKS2
SCHEMBL5951628 0.77 RBP4 (0.39) F12NR1H2C5AR1ADORA1ESR2
SCHEMBL5070051 0.76 ADORA1 (0.49) F12NR1H2ADORA1PARP1TNKS2
SCHEMBL5070031 0.76 F12 (0.41) F12NR1H2C5AR1ADORA1PARP1
SCHEMBL22492346 0.75 ADORA1 (0.50) F12NR1H2C5AR1ADORA1PARP1
SCHEMBL13070458 0.74 ADORA1 (0.53) F12NR1H2ADORA1PARP1TNKS2
SCHEMBL23794808 0.74 PARP1 (0.46) F12NR1H2C5AR1ADORA1PARP1
SCHEMBL22074889 0.71 PARP1 (0.45) F12NR1H2ADORA1PARP1TNKS2

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 F12 4302/4885NR1H2 3596/4885C5AR1 2125/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS F12 4192/4885NR1H2 3515/4885C5AR1 2134/4885

“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.