SCHEMBL23958805

SCHEMBL23958805

COc1cc(C(=O)NCC(O)(c2cc(C(C)(C)O)c(F)c(-c3ccc(F)c(F)c3)n2)C2CC2)cc2cc(C)c(F)nc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSA P10619 7/20 0.35
GABRA5 P31644 3/20 0.35
CYP2C9 P11712 1/20 0.33
MAPK14 Q16539 1/20 0.33
ROCK2 O75116 4/20 0.32
ROCK1 Q13464 4/20 0.32
CNR1 P21554 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
GSK3B P49841 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL30006992 1.00 CTSA (0.35) CTSAGABRA5CYP2C9MAPK14ROCK2
SCHEMBL23958639 1.00 CTSA (0.35) CTSAGABRA5CYP2C9MAPK14ROCK2
SCHEMBL25275834 0.93 CFTR (0.36) CTSACYP2C9MAPK14ROCK2ROCK1
SCHEMBL25687253 0.93 CFTR (0.36) CTSACYP2C9MAPK14ROCK2ROCK1
SCHEMBL28909166 0.91 MAPT (0.35) CTSACYP2C9MAPK14ROCK2ROCK1
SCHEMBL30007107 0.91 MAPT (0.35) CTSACYP2C9MAPK14ROCK2ROCK1
SCHEMBL25687257 0.91 MAPT (0.35) CTSACYP2C9MAPK14ROCK2ROCK1
SCHEMBL23958892 0.90 CTSA (0.35) CTSAGABRA5CYP2C9MAPK14ROCK2
SCHEMBL30007118 0.90 CTSA (0.35) CTSAGABRA5CYP2C9MAPK14ROCK2
SCHEMBL25687368 0.90 CTSA (0.35) CTSAGABRA5CYP2C9MAPK14ROCK2

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
US-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US 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

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 CTSA 473/4885GABRA5 3534/4885CYP2C9 1162/4885

“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.