SCHEMBL6225982

SCHEMBL6225982

O=Cc1ccc(F)cc1N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.51
PIK3CD O00329 2/20 0.51
PIK3CB P42338 2/20 0.51
PIK3CA P42336 2/20 0.51
PIK3CG P48736 2/20 0.51
ALDH1A1 P00352 4/20 0.50
ALDH3A1 P30838 1/20 0.49
ALDH1A3 P47895 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
P2RX7 Q99572 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
ERN1 O75460 1/20 0.40

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
SCHEMBL19584987 0.85 ALDH1A1 (0.51) ALDH1A1ALDH1A3SMN1; SMN2NPC1RAB9A
SCHEMBL6224618 0.82 PIK3CD (0.69) PRKDCPIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL3480566 0.82 NPC1 (0.44) PRKDCPIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL15094202 0.81 ALDH3A1 (0.56) PRKDCPIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL1277259 0.81 PRKDC (0.51) PRKDCPIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL16577084 0.81 ALDH1A1 (0.51) PRKDCPIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL15093911 0.80 LMNA (0.66) PRKDCPIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL19212214 0.78 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL20424922 0.77 ALDH1A1 (0.53) PRKDCPIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL21525650 0.77 ALDH1A1 (0.37) PRKDCPIK3CDPIK3CBPIK3CAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient INSTITUT PASTEUR KOREA (KR) 2021-10-19 US disclosed
US-20200031816-A1 NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ST PHARM CO., LTD. (KR) 2020-01-30 US disclosed
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 (3 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-20200031816-A1 NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ZC3HAV1, ZC3HAV1L, HAVCR2 PRKDC 3096/4885PIK3CD 711/4885PIK3CB 1118/4885
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds MAPKAPK2, MAP3K2, MKNK2 PRKDC 193/4885PIK3CD 285/4885PIK3CB 252/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 PRKDC 2852/4885PIK3CD 922/4885PIK3CB 1454/4885

“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.