SCHEMBL2817826

SCHEMBL2817826

O=C1c2ccccc2C(=O)N1CCN1C(=O)c2cnc3[nH]ncc3c2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
CREBBP Q92793 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
CASP1 P29466 1/20 0.40
GLS O94925 1/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
HTR1A P08908 2/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37

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
SCHEMBL540215 0.87 CASP3 (0.47) L3MBTL1HSD17B10MEN1KMT2APOLB
SCHEMBL13130773 0.85 XDH (0.35) L3MBTL1POLBSMN1; SMN2RAB9ATSHR
SCHEMBL2817888 0.85 RAB9A (0.48) L3MBTL1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2816081 0.84 RAB9A (0.54) L3MBTL1MEN1KMT2APOLBMAPT
SCHEMBL2815478 0.84 HSD17B10 (0.59) HSD17B10MEN1KMT2APOLBMAPT
SCHEMBL2818569 0.83 ALDH1A1 (0.38) HSD17B10MEN1KMT2APOLBMAPT
SCHEMBL2820540 0.83 KDM4E (0.40) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL13130777 0.83 GAA (0.41) L3MBTL1HSD17B10MEN1KMT2AMAPT
SCHEMBL2815188 0.83 CA1 (0.42) KMT2AMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL13167830 0.83 ALDH1A1 (0.39) L3MBTL1MEN1KMT2APOLBCASP1

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 7 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
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 L3MBTL1 4873/4885CREBBP 969/4885HSD17B10 2630/4885

“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.