SCHEMBL23958854

SCHEMBL23958854

CC(C)(O)c1cc(C(O)(CN)C2CC2)nc(-c2ccc(Cl)cc2)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.33
AKT1 P31749 2/20 0.33
AKT2 P31751 2/20 0.33
AKT3 Q9Y243 2/20 0.33
ROCK2 O75116 1/20 0.33
RPS6KA5 O75582 1/20 0.33
RPS6KA4 O75676 1/20 0.33
LATS1 O95835 1/20 0.33
PRKACB P22694 1/20 0.33
RPS6KB1 P23443 1/20 0.33
GRK2 P25098 1/20 0.33
RPS6KA3 P51812 1/20 0.33
PRKCD Q05655 1/20 0.33
ROCK1 Q13464 1/20 0.33
RPS6KA2 Q15349 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
PKN1 Q16512 1/20 0.33
PKN2 Q16513 1/20 0.33
SGK3 Q96BR1 1/20 0.33
RPS6KB2 Q9UBS0 1/20 0.33

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
SCHEMBL25686991 1.00 PRKACA (0.33) PRKACAAKT1AKT2AKT3ROCK2
SCHEMBL23958632 0.91 CFTR (0.34) CNR1
SCHEMBL25686955 0.91 CFTR (0.34) CNR1
SCHEMBL23958790 0.91 CFTR (0.34) CNR1
SCHEMBL23958704 0.89 CSNK1E (0.31)
SCHEMBL23958871 0.89 CSNK1E (0.31)
SCHEMBL23958975 0.88 DGAT1 (0.34) FAAH
SCHEMBL23958767 0.88 DGAT1 (0.34) FAAH
SCHEMBL23958735 0.88 TRPV1 (0.33) ACHEMAPK14
SCHEMBL23958657 0.88 TRPV1 (0.33) ACHEMAPK14

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 2 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
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 PRKACA 4873/4885AKT1 1379/4885AKT2 2111/4885

“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.