SCHEMBL4985160

SCHEMBL4985160

c1ccc(CNCc2cccc3cc[nH]c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
MC5R P33032 2/20 0.42
MAPK1 P28482 1/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MC1R Q01726 1/20 0.41
AHR P35869 1/20 0.41
BCHE P06276 1/20 0.40
KEAP1 Q14145 1/20 0.40
NR1H2 P55055 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL11478614 0.80 HTR2A (0.51) HTR2AHTR2CAHRBCHEKEAP1
SCHEMBL31370047 0.78 KEAP1 (0.49) HTR2AHTR2CAHRBCHEKEAP1
SCHEMBL2260650 0.77 HTR2A (0.55) HTR2AHTR2CAHRBCHEKEAP1
SCHEMBL1395817 0.77 HTR2A (0.52) HTR2AHTR2CMAPK1AHRBCHE
SCHEMBL2259268 0.76 HTR2A (0.45) HTR2AHTR2CAHRKEAP1
SCHEMBL1253321 0.76 HTR2A (0.47) HTR2AHTR2CAHRBCHEKEAP1
SCHEMBL5948731 0.75 NR3C1 (0.47) MEN1KMT2AAHRKEAP1
SCHEMBL11881191 0.74 PKM (0.69) PKMMEN1KMT2ATDP1BCHE
SCHEMBL30482193 0.74 MC5R (0.70) PKMMC5RMAPK1L3MBTL1MEN1
SCHEMBL2865597 0.74 MC5R (0.70) PKMMC5RMAPK1L3MBTL1MEN1

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-7405305-B2 Pyrrole-2, 5dione derivatives and their used as GSK-3 inhibitors ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
EP-1487822-B1 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS LILLY CO ELI (US) 2007-08-01 EP disclosed
US-20050288321-A1 Kinase inhibitors ELI LILLY AND COMPANY 2005-12-29 US disclosed
CN-1639152-A Pyrrole-2, 5-dione derivatives and their use as GSK-3 inhibitors LILLY CO ELI (US) 2005-07-13 CN disclosed
EP-1487822-A2 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS ELI LILLY AND COMPANY (US) 2004-12-22 EP disclosed
WO-2003076398-A2 PYRROLE-2, 5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-18 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-20050288321-A1 Kinase inhibitors ABL1, MAP3K20, MAP3K19 PKM 510/4885HTR2A 4447/4885HTR2C 3640/4885

“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.