Sugi Predict

Sugi Predict / Compounds / SCHEMBL541050

SCHEMBL541050

SCHEMBL541050

CSc1cccc(-c2n[nH]c3ncc4c(c23)C(=O)N(CCc2ccccc2)C4=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PDE10A Q9Y233 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP3 P42574 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ HPGD P15428 2/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ TP53 P04637 2/20 0.32
▸ TGFBR1 P36897 1/20 0.32

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
SCHEMBL13145344 0.92 ABL1 (0.33) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL2815207 0.89 ALDH1A1 (0.43) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL540610 0.88 ALDH1A1 (0.44) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL2818966 0.86 SMN1; SMN2 (0.41) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL2815490 0.84 GRIN1 (0.39) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL2817428 0.83 TTK (0.42) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL2815618 0.83 CASP3 (0.42) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL2816620 0.83 ALDH1A1 (0.38) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL2815733 0.82 ALDH1A1 (0.41) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL13130807 0.81 MAPK14 (0.44) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414357-A1 PYRAZOLO-PYRROLOPYRIDINE-DIONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ArQule, Inc. (US) 2012-02-08 — — EP claimed
WO-2010114904-A1 PYRAZOLO-PYRROLOPYRIDINE-DIONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ARQULE, INC. (US) 2010-10-07 — — WO claimed
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 MAPT 2163/4885ALDH1A1 1053/4885RAB9A 1927/4885

“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.