Sugi Predict

Sugi Predict / Compounds / SCHEMBL1895529

SCHEMBL1895529

SCHEMBL1895529

CCOC(=O)n1nc(NC(=O)c2ccccc2[N+](=O)[O-])c2c1CCN(S(=O)(=O)c1cc(F)cc(F)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ IGF1R P08069 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL1885175 0.90 IGF1R (0.38) ALDH1A1SMN1; SMN2IGF1RTP53POLB
SCHEMBL1885047 0.90 IGF1R (0.39) ALDH1A1SMN1; SMN2GAAIGF1RTP53
SCHEMBL2460044 0.89 IGF1R (0.38) ALDH1A1SMN1; SMN2GAAIGF1RTP53
SCHEMBL1890361 0.88 IGF1R (0.41) ALDH1A1SMN1; SMN2IGF1RTP53POLB
SCHEMBL1894731 0.88 IGF1R (0.50) GAAIGF1RPOLBKMT2AMEN1
SCHEMBL1890200 0.87 IGF1R (0.43) ALDH1A1SMN1; SMN2GAAIGF1RTP53
SCHEMBL1887029 0.86 IGF1R (0.36) ALDH1A1SMN1; SMN2GAAIGF1RTP53
SCHEMBL2458396 0.86 MAPT (0.35) ALDH1A1SMN1; SMN2GAAIGF1RTP53
SCHEMBL1883184 0.85 IGF1R (0.39) ALDH1A1SMN1; SMN2IGF1RTP53POLB
SCHEMBL1888067 0.85 IGF1R (0.42) ALDH1A1SMN1; SMN2IGF1RTP53POLB

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-8173659-B2 Substituted pyrazolo[4,3-C]pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-05-08 — — US disclosed
US-20110230470-A1 SUBSTITUTED PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-09-22 — — US disclosed
US-7947686-B2 Substituted pyrazolo[4,3-c]pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-24 — — US disclosed
US-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-22 — — 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-20110230470-A1 SUBSTITUTED PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K3, MAP3K1, MAP3K19 ALDH1A1 2295/4885SMN1; SMN2 3711/4885GAA 1656/4885
US-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K19 ALDH1A1 2295/4885SMN1; SMN2 3711/4885GAA 1656/4885

“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.