SCHEMBL540608

SCHEMBL540608

COc1ccc(Cn2ncc3c4c(cnc32)C(=O)N(CCc2ccccc2)C4=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
NPBWR1 P48145 2/20 0.45
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PARK7 Q99497 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
USP2 O75604 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
SCHEMBL540962 0.84 PDE1A (0.45) MAPTALDH1A1LMNAHPGDALOX15
SCHEMBL540802 0.82 MAPT (0.43) MAPTALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL540537 0.78 ADORA2A (0.41) MAPTALDH1A1LMNAHPGDALOX15
SCHEMBL2815667 0.76 BTK (0.43) MAPTALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL2817148 0.76 GSK3A (0.45) MAPTALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL540804 0.75 MAPT (0.47) MAPTALDH1A1LMNAHPGDALOX15
SCHEMBL13167764 0.74 SMN1; SMN2 (0.40) MAPTALDH1A1LMNAHPGDALOX15
SCHEMBL29168851 0.72 RAB9A (0.68) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30758623 0.72 RAB9A (0.68) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL540726 0.72 RET (0.45) MAPTMEN1CYP1A2CYP3A4KMT2A

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-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
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 MAPT 2163/4885ALDH1A1 1053/4885LMNA 3626/4885

“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.