Sugi Predict

Sugi Predict / Compounds / SCHEMBL541103

SCHEMBL541103

SCHEMBL541103

O=C1c2cnc3[nH]ncc3c2C(=O)N1CCc1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ GAA P10253 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PDE10A Q9Y233 2/20 0.38
▸ ADRA1D P25100 2/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ ADRA1B P35368 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 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
SCHEMBL13130777 0.86 GAA (0.41) DAOMAPTGAARAB9AMEN1
SCHEMBL2818569 0.86 ALDH1A1 (0.38) DAOMAPTGAARAB9AMEN1
SCHEMBL2820540 0.86 KDM4E (0.40) DAOMAPTGAARAB9AMEN1
SCHEMBL2815395 0.85 PDE10A (0.37) MAPTGAARAB9AMEN1NPC1
SCHEMBL2818139 0.83 KCNN4 (0.40) DAOMAPTGAARAB9AMEN1
SCHEMBL540215 0.83 CASP3 (0.47) MAPTGAARAB9AMEN1NPC1
SCHEMBL2817826 0.82 L3MBTL1 (0.44) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL2815478 0.80 HSD17B10 (0.59) DAOMAPTRAB9AMEN1KMT2A
SCHEMBL2815116 0.77 DAO (0.39) DAOMAPTGAAMEN1KMT2A
SCHEMBL2820930 0.77 CYP1A2 (0.46) DAOMAPTGAARAB9AKMT2A

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
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
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 DAO 734/4885MAPT 2163/4885GAA 2267/4885

“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.