SCHEMBL3564909

SCHEMBL3564909

COC(=O)Cc1nc(-c2ccccc2)ncc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
ALDH1A1 P00352 7/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 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
SCHEMBL3576827 0.82 PDE4B (0.54) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL18539734 0.78 ALDH1A1 (0.55) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL26708752 0.76 POLB (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL29050110 0.76 KMT2A (0.71) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL11160675 0.75 MEN1 (0.51) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL403150 0.73 ALDH1A1 (0.63) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL7216937 0.73 PDE5A (0.53) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL11162717 0.73 ALDH1A1 (0.51) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL18549679 0.73 MEN1 (0.49) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL5914393 0.73 MEN1 (0.55) MEN1KMT2AALDH1A1HTTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
CN-101356159-A Substituted isoquinoline-1, 3(2H,4H) -diones, 1-thio-1, 4-dihydro-2H-isoquinoline-3-ones and 1, 4-dihydro-3 (2H) -isoquinolones and their use as kinase inhibitors WYETH CORP (US) 2009-01-28 CN disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 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-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 MEN1 1015/4885KMT2A 1053/4885ALDH1A1 61/4885

“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.