SCHEMBL2149061

SCHEMBL2149061

Cc1c(C(=O)O)c2ccccc2c(=O)n1CC(C)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ATM Q13315 2/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
PGR P06401 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPY5R Q15761 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 2/20 0.37
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36

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
SCHEMBL2832448 0.90 RAB9A (0.49) MEN1KMT2AATMRAB9AMAPT
SCHEMBL2834254 0.83 MEN1 (0.36) MEN1KMT2AATMRAB9AMAPT
SCHEMBL2148955 0.79 TACR3 (0.47) MEN1KMT2AATMALDH1A1SMN1; SMN2
SCHEMBL2830643 0.79 TDP1 (0.62) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL3350444 0.78 SMN1; SMN2 (0.58) MEN1KMT2ARAB9AMAPTKDM4E
SCHEMBL2834290 0.78 MEN1 (0.49) MEN1KMT2AATMMAPTKDM4E
SCHEMBL2832378 0.76 MEN1 (0.49) MEN1KMT2AATMRAB9AMAPT
SCHEMBL2837392 0.76 MEN1 (0.42) MEN1KMT2AATMRAB9AMAPT
SCHEMBL2834167 0.75 ALDH1A1 (0.63) MEN1KMT2AATMMAPTKDM4E
SCHEMBL2832041 0.75 ALDH1A1 (0.52) MEN1KMT2AATMRAB9AMAPT

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 9 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
EP-2342182-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2011-07-13 EP 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 MEN1 2461/4885KMT2A 891/4885ATM 2996/4885

“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.