SCHEMBL2830105

SCHEMBL2830105

Cc1c(C(=O)O)c2cccc(F)c2c(=O)n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
NLRP3 Q96P20 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
EGFR P00533 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
KAT2B Q92831 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
PDE10A Q9Y233 1/20 0.36
NOTUM Q6P988 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL2832018 0.84 KMT2A (0.39) ATMKMT2AMEN1CES2CES1
SCHEMBL1550382 0.83 KMT2A (0.39) ATMKMT2AMEN1CES2CES1
SCHEMBL2831862 0.82 CNR2 (0.46) ATMKMT2AMEN1KDM4EMAPT
SCHEMBL2832433 0.82 LMNA (0.38) ATMKMT2AMEN1KDM4EGAA
SCHEMBL2834258 0.82 KDM4E (0.43) ATMKMT2AMEN1CES2CES1
SCHEMBL2677224 0.82 GAA (0.48) ATMKMT2AMEN1KDM4EGAA
SCHEMBL2675354 0.82 NOTUM (0.48) ATMKMT2AMEN1KDM4EGAA
SCHEMBL2149368 0.82 KMT2A (0.43) ATMKMT2AMEN1CRHBPCRHR2
SCHEMBL14828565 0.80 PTGDR2 (0.42) ATMKMT2AMEN1KDM4EMAPT
SCHEMBL2676694 0.80 NOTUM (0.44) ATMKMT2AMEN1KDM4EGAA

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
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
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

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 ATM 2996/4885KMT2A 891/4885MEN1 2461/4885

“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.