SCHEMBL2815478

SCHEMBL2815478

O=C1c2cnc3[nH]ncc3c2C(=O)N1CCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.59
GRM5 P41594 1/20 0.47
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
DAO P14920 1/20 0.39
CNOT7 Q9UIV1 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CYP1B1 Q16678 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL2820527 0.88 ALDH1A1 (0.57) HSD17B10HTTMEN1KMT2AALDH1A1
SCHEMBL540215 0.85 CASP3 (0.47) HSD17B10RAB9AMEN1KMT2AALDH1A1
SCHEMBL2817826 0.84 L3MBTL1 (0.44) HSD17B10RAB9AHTTMEN1KMT2A
SCHEMBL2815395 0.82 PDE10A (0.37) HSD17B10RAB9AMEN1KMT2AALDH1A1
SCHEMBL2816972 0.81 GRM5 (0.41) HSD17B10GRM5RAB9AKMT2AALDH1A1
SCHEMBL2820540 0.81 KDM4E (0.40) RAB9AHTTMEN1KMT2AALDH1A1
SCHEMBL2818569 0.81 ALDH1A1 (0.38) HSD17B10RAB9AMEN1KMT2AALDH1A1
SCHEMBL13130777 0.81 GAA (0.41) HSD17B10RAB9AMEN1KMT2AALDH1A1
SCHEMBL541103 0.80 DAO (0.40) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL2818139 0.78 KCNN4 (0.40) RAB9AMEN1KMT2ADAOMAPT

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 HSD17B10 2630/4885GRM5 1695/4885RAB9A 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.