SCHEMBL540804

SCHEMBL540804

COc1ccc(Cn2ncc3c4c(cnc32)C(=O)NC4=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPBWR1 P48145 8/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDE1B Q01064 4/20 0.45
PDE1A P54750 3/20 0.45
PDE1C Q14123 3/20 0.45
MCHR1 Q99705 1/20 0.43
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41
ACVR1B P36896 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL540608 0.75 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2NPBWR1
SCHEMBL2804194 0.74 PDE1A (0.43) MAPTALDH1A1LMNASMN1; SMN2NPBWR1
SCHEMBL2804703 0.73 ALDH1A1 (0.49) MAPTALDH1A1LMNASMN1; SMN2NPBWR1
SCHEMBL15555724 0.73 LMNA (0.50) MAPTALDH1A1LMNASMN1; SMN2NPBWR1
SCHEMBL2804699 0.73 ALDH1A1 (0.48) MAPTALDH1A1LMNASMN1; SMN2NPBWR1
SCHEMBL2490215 0.72 ALDH1A1 (0.43) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL25237607 0.72 LMNA (0.52) MAPTALDH1A1LMNASMN1; SMN2NPBWR1
SCHEMBL3717372 0.72 LMNA (0.52) MAPTALDH1A1LMNASMN1; SMN2NPBWR1
SCHEMBL20176616 0.72 LMNA (0.52) MAPTALDH1A1LMNASMN1; SMN2NPBWR1
SCHEMBL15555752 0.72 LMNA (0.52) MAPTALDH1A1LMNASMN1; SMN2NPBWR1

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 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.