SCHEMBL5957992

SCHEMBL5957992

O=C(O)c1ccc2[nH]c(-c3nc4ccccc4[nH]c3=O)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
KDM4E B2RXH2 5/20 0.52
AURKA O14965 2/20 0.50
ITK Q08881 1/20 0.49
STK33 Q9BYT3 3/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 2/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
AKR1C3 P42330 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL5957735 0.83 RAB9A (0.52) RAB9ANPC1KDM4EAURKASTK33
SCHEMBL5473174 0.83 CSNK2A1 (0.40) RAB9ANPC1KDM4EITKHPGD
SCHEMBL5957715 0.82 RAB9A (0.61) RAB9ANPC1KDM4EITKALDH1A1
SCHEMBL27643065 0.80 STK33 (0.42) RAB9ANPC1KDM4EAURKAITK
SCHEMBL27643064 0.79 MEN1 (0.42) RAB9ANPC1KDM4EAURKAITK
SCHEMBL5078673 0.78 KDR (0.70) KDM4EITKHPGDCASP3SENP8
SCHEMBL17184425 0.78 KDM4E (0.63) RAB9ANPC1KDM4EAURKAHPGD
SCHEMBL5958003 0.76 NPC1 (0.48) RAB9ANPC1KDM4EAURKASTK33
SCHEMBL4125482 0.76 ITK (0.81) ITK
SCHEMBL29784265 0.75 CASP3 (0.77) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1738814-A Indolyl pyrazinone derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORP (US) 2006-02-22 CN disclosed
US-20060004011-A1 Indolyl pyrazinone derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORPORATION (US) 2006-01-05 US disclosed
EP-1565455-A1 INDOLYL PYRAZINONE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Pharmaceuticals Corporation (US) 2005-08-24 EP disclosed
WO-2004043950-A1 INDOLYL PYRAZINONE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORPORATION (US) 2004-05-27 WO 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-20060004011-A1 Indolyl pyrazinone derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis MKI67, VEGFA, FLT1 RAB9A 2009/4885NPC1 2143/4885KDM4E 4059/4885

“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.