SCHEMBL2817428

SCHEMBL2817428

CC(=O)Nc1cccc(-c2n[nH]c3ncc4c(c23)C(=O)N(CCc2ccccc2)C4=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.42
MAPK8 P45983 3/20 0.42
BRAF P15056 3/20 0.41
PDE5A O76074 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE1C Q14123 1/20 0.41
PDE3A Q14432 1/20 0.41
PLK1 P53350 1/20 0.41
CHEK1 O14757 1/20 0.40
FGFR1 P11362 1/20 0.40
NEK2 P51955 1/20 0.40
MAPK15 Q8TD08 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 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
SCHEMBL2815207 0.86 ALDH1A1 (0.43) MEN1NPC1ALDH1A1POLBMAPT
SCHEMBL540610 0.85 ALDH1A1 (0.44) MEN1NPC1ALDH1A1POLBMAPT
SCHEMBL2818966 0.84 SMN1; SMN2 (0.41) PLK1MEN1NPC1ALDH1A1POLB
SCHEMBL541050 0.83 MAPT (0.39) MEN1NPC1ALDH1A1POLBMAPT
SCHEMBL2815490 0.82 GRIN1 (0.39) ALDH1A1MAPTRAB9A
SCHEMBL2815618 0.81 CASP3 (0.42) MEN1NPC1ALDH1A1POLBMAPT
SCHEMBL2816620 0.81 ALDH1A1 (0.38) PLK1MEN1ALDH1A1MAPTRAB9A
SCHEMBL2815733 0.80 ALDH1A1 (0.41) MEN1NPC1ALDH1A1POLBMAPT
SCHEMBL2816145 0.80 MAP2K4 (0.39) MEN1NPC1ALDH1A1POLBMAPT
SCHEMBL13130807 0.79 MAPK14 (0.44) PLK1MEN1ALDH1A1MAPTRAB9A

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 6 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
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 TTK 1252/4885MAPK8 420/4885BRAF 69/4885

“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.