Sugi Predict

Sugi Predict / Compounds / SCHEMBL1894646

SCHEMBL1894646

SCHEMBL1894646

CCOC(=O)n1nc(NC(=O)c2c(F)cccc2[N+](=O)[O-])c2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.37
▸ C5AR1 P21730 2/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GPR174 Q9BXC1 2/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ RORC P51449 2/20 0.36
▸ MAP3K5 Q99683 1/20 0.36
▸ F12 P00748 2/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.34

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
SCHEMBL2454525 0.87 ALDH1A1 (0.44) MAPTC5AR1P2RX3ALDH1A1SMN1; SMN2
SCHEMBL4287464 0.82 KMT2A (0.34) MAPTC5AR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL2678890 0.82 KMT2A (0.38) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1885047 0.81 IGF1R (0.39) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL2678886 0.81 KMT2A (0.38) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1890828 0.81 AKR1B10 (0.40) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1890661 0.80 MAPT (0.35) MAPTC5AR1P2RX3ALDH1A1HDAC1
SCHEMBL1890065 0.79 SIRT6 (0.40) MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL1891508 0.78 MTOR (0.40) MAPTALDH1A1MEN1KMT2ACYP2C9
SCHEMBL1895334 0.78 MAPT (0.39) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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 MAPT 2600/4885C5AR1 4324/4885P2RX3 862/4885
US-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K19 MAPT 2600/4885C5AR1 4324/4885P2RX3 862/4885

“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.