SCHEMBL23905505

SCHEMBL23905505

COC(=O)c1cc(OC)c2ncc(C(F)(F)F)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGDS O60760 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 2/20 0.40
PSMD14 O00487 1/20 0.40
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PTPN11 Q06124 1/20 0.38
APP P05067 1/20 0.38
MAPT P10636 2/20 0.38
HCRTR1 O43613 2/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL23195644 0.88 CA12 (0.44) LMNAALDH1A1HPGDSMAPK1HTT
SCHEMBL30007758 0.88 CA12 (0.44) LMNAALDH1A1HPGDSMAPK1HTT
SCHEMBL25114964 0.88 MAOB (0.45) ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL30339881 0.87 SMN1; SMN2 (0.44) ALDH1A1HPGDSKDM4EMAPK1MAPT
SCHEMBL23905372 0.82 KDM4E (0.45) LMNAALDH1A1HPGDSKDM4EPSMD14
SCHEMBL23904892 0.81 KDM4E (0.46) LMNAALDH1A1HPGDSKDM4EPSMD14
SCHEMBL23883070 0.81 KDM4E (0.46) LMNAALDH1A1HPGDSKDM4EPSMD14
SCHEMBL23905404 0.81 ATM (0.47) LMNAALDH1A1HPGDSKDM4EPSMD14
SCHEMBL23883090 0.80 ALDH1A1 (0.45) NOTUMLMNAALDH1A1HPGDSKDM4E
SCHEMBL23166783 0.80 KDM4E (0.45) LMNAALDH1A1HPGDSKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
EP-4139293-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2023-03-01 EP disclosed
CN-115461336-A RSV inhibiting 3-substituted quinoline and cinnoline derivatives 爱尔兰詹森科学公司 2022-12-09 CN disclosed
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed
WO-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES ACE2, SIRT7, ACE NOTUM 2482/4885LMNA 1243/4885ALDH1A1 1630/4885

“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.