SCHEMBL6225482

SCHEMBL6225482

O=Cc1c(F)cc(N2CCOCC2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
RAD51 Q06609 2/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 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
SCHEMBL22499083 0.89 MEN1 (0.44) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18297686 0.83 ALDH1A1 (0.47) KMT2AALDH1A1LMNAKDM4EALDH1A3
SCHEMBL6224976 0.79 KDM4E (0.40) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1250428 0.79 ALDH3A1 (0.53) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL22657488 0.78 AKR1C3 (0.42) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3930853 0.78 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5593312 0.76 ALDH3A1 (0.46) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL22657917 0.76 KDM4E (0.41) PRKDCMEN1KMT2AALDH1A1LMNA
SCHEMBL22657916 0.76 KDM4E (0.41) PRKDCMEN1KMT2AALDH1A1LMNA
SCHEMBL28991680 0.76 KDM4E (0.46) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572693-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds PHARMACIA CORPORATION 2004-10-21 US disclosed
WO-2004058762-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 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-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds MAPKAPK2, MAP3K2, MKNK2 PRKDC 193/4885PIK3CD 285/4885PIK3CA 303/4885

“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.