SCHEMBL5539008

SCHEMBL5539008

CCOC(=O)c1ccc(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 2/20 0.46
POLB P06746 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
RORC P51449 3/20 0.45
GAA P10253 2/20 0.45
AR P10275 1/20 0.45
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CACNA1F O60840 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42

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
SCHEMBL4420346 0.84 SMN1; SMN2 (0.64) KDM4ENPSR1SMN1; SMN2MAPTPOLB
SCHEMBL5532565 0.81 RORC (0.51) KDM4ENPSR1SMN1; SMN2MAPTMAPK1
SCHEMBL5535989 0.81 KDM4E (0.49) KDM4ENPSR1SMN1; SMN2MAPTMAPK1
SCHEMBL8490992 0.76 TDP1 (0.70) KDM4ENPSR1SMN1; SMN2MAPTPOLB
SCHEMBL10953243 0.75 HSD17B10 (0.62) KDM4ENPSR1SMN1; SMN2MAPTMAPK1
SCHEMBL7723906 0.74 SMN1; SMN2 (0.68) SMN1; SMN2MAPTTDP1ARMEN1
SCHEMBL25776543 0.74 KDM4E (0.53) KDM4ENPSR1SMN1; SMN2MAPTPOLB
SCHEMBL10720355 0.73 KMT2A (0.56) KDM4ENPSR1SMN1; SMN2MAPTPOLB
SCHEMBL9587613 0.73 KDM4E (0.52) KDM4ENPSR1SMN1; SMN2MAPTPOLB
SCHEMBL550516 0.73 SMN1; SMN2 (0.63) SMN1; SMN2MAPTTDP1GAAAR

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-7186716-B2 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. (US) 2007-03-06 US disclosed
EP-1545515-A1 3-PYRROLYL-PYRIDOPYRAZOLES AND 3-PYRROLYL-INDAZOLES AS NOVEL KINASE INHIBITORS Sugen, Inc. (US) 2005-06-29 EP disclosed
US-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. 2004-05-13 US disclosed
WO-2004014368-A1 3-PYRROLYL-PYRIDOPYRAZOLES AND 3-PYRROLYL-INDAZOLES AS NOVEL KINASE INHIBITORS SUGEN, INC. (US) 2004-02-19 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-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors MAP3K19, MAP3K1, MAP3K7 KDM4E 1574/4885NPSR1 3418/4885SMN1; SMN2 3900/4885

“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.