SCHEMBL23958602

SCHEMBL23958602

COC(=O)c1cc(OC)c2nnc(C)c(Br)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 3/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 5/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
NFKB1 P19838 1/20 0.37
XDH P47989 1/20 0.37
GFER P55789 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL23958614 0.85 KDM4E (0.44) CNR2KDM4EALDH1A1MAPTCA12
SCHEMBL23905352 0.84 EPHX2 (0.36) KDM4EALDH1A1CA12CA1CA2
SCHEMBL25113872 0.80 PDE10A (0.40) CNR2KDM4EALDH1A1MAPTCA12
SCHEMBL731344 0.76 MAPT (0.53) CNR2KDM4EALDH1A1MAPTCA12
SCHEMBL24984898 0.75 CA12 (0.46) KDM4EALDH1A1MAPTCA12CA1
SCHEMBL23905572 0.74 KDM4E (0.47) CNR2KDM4EALDH1A1MAPTCA12
SCHEMBL13646593 0.73 CNR2 (0.49) CNR2KDM4EALDH1A1MAPTCA12
SCHEMBL17025623 0.73 MAPT (0.42) CNR2KDM4EALDH1A1MAPTCYP3A4
SCHEMBL25113893 0.72 ALDH1A1 (0.49) CNR2KDM4EALDH1A1MAPTCA12
SCHEMBL16544886 0.71 MAPT (0.43) CNR2KDM4EALDH1A1MAPTCYP3A4

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 4 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
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 CNR2 646/4885KDM4E 3733/4885ALDH1A1 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.