SCHEMBL23958619

SCHEMBL23958619

CC(C)(O)c1cc(C(=O)CBr)nc(-c2ccc(F)cc2)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.41
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.36
FPR2 P25090 1/20 0.36
SCN9A Q15858 1/20 0.36
CNR2 P34972 4/20 0.36
CNR1 P21554 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL30007475 1.00 CFTR (0.41) CFTRPTPN1ALDH1A1L3MBTL1LMNA
SCHEMBL23958823 0.81 MMP13 (0.42) CFTRALDH1A1L3MBTL1LMNACNR1
SCHEMBL25689048 0.79 CFTR (0.37) CFTRALDH1A1L3MBTL1LMNAFPR2
SCHEMBL23958693 0.77 CFTR (0.40) CFTRALDH1A1L3MBTL1FPR2SCN9A
SCHEMBL23958650 0.77 ALDH1A1 (0.41) CFTRALDH1A1L3MBTL1LMNANPC1
SCHEMBL28909138 0.77 CFTR (0.34) CFTRALDH1A1L3MBTL1LMNAFPR2
SCHEMBL25686910 0.76 CFTR (0.35) CFTRALDH1A1L3MBTL1LMNAFPR2
SCHEMBL26727261 0.75 CFTR (0.34) CFTRCNR2CNR1MAPK14
SCHEMBL23930265 0.74 ADORA2A (0.40) CFTRALDH1A1L3MBTL1CNR2CNR1
SCHEMBL23958718 0.74 CNR1 (0.44) CNR1KDM4EDHODH

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
WO-2023237732-A1 RSV INHIBITING TRIAZOLO BEARING DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2023-12-14 WO disclosed
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
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 CFTR 508/4885PTPN1 3791/4885ALDH1A1 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.