SCHEMBL540726

SCHEMBL540726

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.45
KDR P35968 1/20 0.45
AKR1C3 P42330 6/20 0.45
ADORA3 P0DMS8 2/20 0.43
RPS6KA2 Q15349 2/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 2/20 0.41
KCNK9 Q9NPC2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
BTK Q06187 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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 0.89 SMN1; SMN2 (0.40) RETKDRAKR1C3MAPTMEN1
SCHEMBL540359 0.87 KDR (0.46) RETKDRMAPTBTK
SCHEMBL2815667 0.85 BTK (0.43) MAPTMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL540802 0.78 MAPT (0.43) MAPTMEN1CYP1A2CYP3A4KMT2A
SCHEMBL540608 0.72 MAPT (0.49) RETKDRMAPTMEN1CYP1A2
SCHEMBL2817428 0.71 TTK (0.42) MAPTMEN1KMT2A
SCHEMBL20535046 0.66 RPS6KA2 (0.74) RPS6KA2CA9MAPTKCNK9MEN1
SCHEMBL540537 0.66 ADORA2A (0.41) RETKDRMAPTMEN1CYP1A2
SCHEMBL13130842 0.65 PTGIR (0.43) MAPTMEN1CYP2C9KMT2A
SCHEMBL29183320 0.64 PDE1B (0.46) MEN1KMT2A

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 9 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
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 RET 368/4885KDR 1533/4885AKR1C3 1248/4885

“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.