SCHEMBL23905550

SCHEMBL23905550

COC(=O)c1cc(OC)c2nnc(C(F)F)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.41
PTPN11 Q06124 3/20 0.39
MAPT P10636 3/20 0.38
CNR2 P34972 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.35
XDH P47989 1/20 0.35
GFER P55789 1/20 0.35
NFKB2 Q00653 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
SCHEMBL30007404 1.00 KDM4E (0.43) KDM4EALDH1A1CYP3A4PTPN11MAPT
SCHEMBL25688671 0.90 KDM4E (0.38) KDM4EALDH1A1CYP3A4PTPN11MAPT
SCHEMBL30007760 0.88 CA12 (0.45) KDM4ECNR2CA12CA1CA2
SCHEMBL23905556 0.88 CA12 (0.45) KDM4ECNR2CA12CA1CA2
SCHEMBL30211268 0.86 TSHR (0.41) KDM4EALDH1A1CYP3A4CA12CA1
SCHEMBL25686436 0.85 KDM4E (0.46) KDM4EALDH1A1PTPN11MAPTCNR2
SCHEMBL23904747 0.82 KDM4E (0.50) KDM4EALDH1A1CYP3A4PTPN11MAPT
SCHEMBL23905572 0.80 KDM4E (0.47) KDM4EALDH1A1CYP3A4PTPN11MAPT
SCHEMBL30211259 0.79 KDM4E (0.46) KDM4EALDH1A1CYP3A4PTPN11MAPT
SCHEMBL23883075 0.79 KDM4E (0.46) KDM4EALDH1A1CYP3A4PTPN11MAPT

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
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-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 KDM4E 3733/4885ALDH1A1 1630/4885CYP3A4 398/4885

“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.