SCHEMBL1892408

SCHEMBL1892408

CCOC(=O)n1nc(NC(=O)c2ccc(N(C)CCN(C)C)cc2[N+](=O)[O-])c2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 3/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
C5AR1 P21730 2/20 0.32
P2RX3 P56373 1/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
ADORA1 P30542 1/20 0.32
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
PDE10A Q9Y233 1/20 0.31
ATM Q13315 1/20 0.31
USP30 Q70CQ3 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MTOR P42345 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL1890661 0.92 MAPT (0.35) F12HDAC1HDAC6C5AR1P2RX3
SCHEMBL1898452 0.89 TP53 (0.34) F12P2RX3MAPTGAATP53
SCHEMBL1890828 0.86 AKR1B10 (0.40) MAPTALDH1A1LMNATP53MEN1
SCHEMBL2454525 0.84 ALDH1A1 (0.44) F12HDAC1HDAC6C5AR1P2RX3
SCHEMBL2677306 0.83 SLC6A2 (0.33) MAPTALDH1A1LMNAGAATP53
SCHEMBL1890065 0.83 SIRT6 (0.40) MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL2677302 0.83 SLC6A2 (0.33) MAPTALDH1A1LMNAGAATP53
SCHEMBL1887029 0.83 IGF1R (0.36) MAPTALDH1A1LMNAGAAHTT
SCHEMBL1891508 0.82 MTOR (0.40) MAPTALDH1A1LMNAMEN1NPC1
SCHEMBL1891444 0.81 GPR119 (0.36) F12TP53

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 5 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
EP-1968976-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-17 EP disclosed
WO-2007068619-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 WO 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 (1 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 F12 1864/4885HDAC1 745/4885HDAC6 944/4885

“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.