SCHEMBL4280181

SCHEMBL4280181

CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1[N+](=O)[O-])CN(C(=O)OC(C)(C)C)C2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.39
LMNA P02545 3/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
C5AR1 P21730 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL4291110 0.89 MAPT (0.40) ALDH1A1GAASMN1; SMN2KDM4ELMNA
SCHEMBL4288974 0.88 KDM4E (0.41) ALDH1A1SMN1; SMN2KDM4ELMNARAB9A
SCHEMBL4278110 0.88 C5AR1 (0.35) ALDH1A1GAASMN1; SMN2KDM4ELMNA
SCHEMBL1891834 0.87 ALDH1A1 (0.42) ALDH1A1GAASMN1; SMN2KDM4ELMNA
SCHEMBL1205670 0.87 ALDH1A1 (0.42) ALDH1A1GAASMN1; SMN2KDM4ELMNA
SCHEMBL1373769 0.85 SIRT6 (0.39) ALDH1A1SMN1; SMN2LMNAL3MBTL1C5AR1
SCHEMBL4288108 0.85 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1204604 0.85 C5AR1 (0.41) ALDH1A1GAASMN1; SMN2KDM4ELMNA
SCHEMBL2677432 0.83 F12 (0.45) ALDH1A1GAASMN1; SMN2LMNAGLA
SCHEMBL4424639 0.82 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2KDM4ELMNA

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-8461193-B2 Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-06-11 US disclosed
US-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-06-25 US disclosed
EP-1963326-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-03 EP disclosed
WO-2007068637-A1 SUBSTITUTED PYRROLO-PYRAZOLE 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-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 ALDH1A1 2548/4885GAA 1579/4885SMN1; SMN2 3697/4885

“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.