SCHEMBL2837239

SCHEMBL2837239

Cc1c(C(=O)O)c2cccc(F)c2c(=O)n1NCC(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
GPR139 Q6DWJ6 3/20 0.36
KAT2B Q92831 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RORA P35398 1/20 0.32
NR5A1 Q13285 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL2835040 0.92 GPR139 (0.39) KMT2AMEN1GPR139KAT2BKDM4E
SCHEMBL2149496 0.91 GPR139 (0.40) KMT2AMEN1GPR139KAT2BKDM4E
SCHEMBL2149283 0.87 KMT2A (0.40) KMT2AMEN1GPR139KAT2BKDM4E
SCHEMBL2835049 0.85 KMT2A (0.39) KMT2AMEN1GPR139KAT2BPTGDR2
SCHEMBL2837365 0.85 KMT2A (0.39) KMT2AMEN1GPR139KAT2BSMN1; SMN2
SCHEMBL2834005 0.84 KMT2A (0.38) KMT2AMEN1GPR139KAT2B
SCHEMBL2830804 0.83 KMT2A (0.38) KMT2AMEN1GPR139KAT2BPTGDR2
SCHEMBL2149368 0.83 KMT2A (0.43) KMT2AMEN1GPR139KAT2B
SCHEMBL2830542 0.77 GPR139 (0.38) KMT2AMEN1GPR139KAT2BKDM4E
SCHEMBL2833404 0.76 MEN1 (0.33) KMT2AMEN1KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342182-B1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS LUNDBECK & CO AS H (DK) 2012-11-14 EP claimed
US-8242134-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-08-14 US claimed
US-20100076016-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-03-25 US claimed
WO-2010028655-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-03-18 WO claimed
EP-2342182-B1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS LUNDBECK & CO AS H (DK) 2012-11-14 EP disclosed
US-8242134-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-08-14 US disclosed
US-20100076016-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-03-25 US disclosed
WO-2010028655-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-03-18 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-20100076016-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, GRIK3 KMT2A 891/4885MEN1 2461/4885GPR139 1902/4885

“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.