SCHEMBL23958736

SCHEMBL23958736

CC(C)(O)c1cc(C(O)(CN)C2CC2)nc(-c2cccc(F)c2)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.36
DPP4 P27487 1/20 0.34
PIM1 P11309 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34
HTR2C P28335 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
NTMT1 Q9BV86 1/20 0.33
MERTK Q12866 1/20 0.33
KCNH2 Q12809 1/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
ADORA2A P29274 3/20 0.32
ADORA1 P30542 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
MAOB P27338 1/20 0.32
HCRTR1 O43613 1/20 0.32

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
SCHEMBL23958991 1.00 HPGDS (0.36) HPGDSDPP4PIM1TAAR1HTR2C
SCHEMBL23958790 0.88 CFTR (0.34) HPGDSDPP4HTR2CALDH1A1
SCHEMBL25686955 0.88 CFTR (0.34) HPGDSDPP4HTR2CALDH1A1
SCHEMBL23958632 0.88 CFTR (0.34) HPGDSDPP4HTR2CALDH1A1
SCHEMBL23958704 0.86 CSNK1E (0.31) CSNK1E
SCHEMBL23958871 0.86 CSNK1E (0.31) CSNK1E
SCHEMBL23958854 0.84 PRKACA (0.33)
SCHEMBL25686991 0.84 PRKACA (0.33)
SCHEMBL23958735 0.83 TRPV1 (0.33) DPP4MERTKKCNH2
SCHEMBL23958657 0.83 TRPV1 (0.33) DPP4MERTKKCNH2

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 HPGDS 4259/4885DPP4 1422/4885PIM1 1919/4885

“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.