SCHEMBL540359

SCHEMBL540359

COc1ccc(Cn2nc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)c3c4c(cnc32)C(=O)N(CCc2ccccc2)C4=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.46
RET P07949 2/20 0.46
PPARA Q07869 3/20 0.42
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
NR3C1 P04150 1/20 0.38
ESR2 Q92731 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CYP19A1 P11511 1/20 0.37
AURKA O14965 1/20 0.37
BRD4 O60885 1/20 0.36
PARK7 Q99497 1/20 0.36
BTK Q06187 1/20 0.36
PFKFB4 Q16877 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL13167764 0.90 SMN1; SMN2 (0.40) KDRRETMAPTALDH1A1SMN1; SMN2
SCHEMBL540726 0.87 RET (0.45) KDRRETMAPTBTK
SCHEMBL2815667 0.86 BTK (0.43) MAPTALDH1A1SMN1; SMN2PARK7BTK
SCHEMBL540802 0.78 MAPT (0.43) MAPTALDH1A1SMN1; SMN2PARK7
SCHEMBL540608 0.72 MAPT (0.49) KDRRETMAPTALDH1A1SMN1; SMN2
SCHEMBL540537 0.66 ADORA2A (0.41) KDRRETMAPTALDH1A1SMN1; SMN2
SCHEMBL7008327 0.66 NR3C1 (0.49) NR3C1
SCHEMBL2817428 0.65 TTK (0.42) MAPTALDH1A1BRD4HPGD
SCHEMBL13904044 0.64 CA1 (0.60) MAPTALDH1A1SMN1; SMN2KEAP1PARK7
SCHEMBL6038125 0.64 LMNA (0.55) ALDH1A1SMN1; SMN2LMNAHTTMAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906928-B2 Substituted pyrazolo-pyrrolo-pyridine-dione compounds ARQULE, INC. (US) 2014-12-09 US disclosed
US-8906928-B2 Substituted pyrazolo-pyrrolo-pyridine-dione compounds ARQULE, INC. (US) 2014-12-09 US disclosed
US-8906928-B2 Substituted pyrazolo-pyrrolo-pyridine-dione compounds ARQULE, INC. (US) 2014-12-09 US disclosed
EP-2414357-A1 PYRAZOLO-PYRROLOPYRIDINE-DIONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ArQule, Inc. (US) 2012-02-08 EP disclosed
WO-2010114904-A1 PYRAZOLO-PYRROLOPYRIDINE-DIONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ARQULE, INC. (US) 2010-10-07 WO disclosed
WO-2010114904-A1 PYRAZOLO-PYRROLOPYRIDINE-DIONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ARQULE, INC. (US) 2010-10-07 WO disclosed
US-20100249120-A1 SUBSTITUTED PYRAZOLO-PYRROLO-PYRIDINE-DIONE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249120-A1 SUBSTITUTED PYRAZOLO-PYRROLO-PYRIDINE-DIONE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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 (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-20100249120-A1 SUBSTITUTED PYRAZOLO-PYRROLO-PYRIDINE-DIONE COMPOUNDS MKI67, TP53, PDK1 KDR 1533/4885RET 368/4885PPARA 135/4885

“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.