SCHEMBL23958617

SCHEMBL23958617

Cc1cc2cc(C(=O)O)cc(OC(F)(F)F)c2nn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 7/20 0.35
AURKA O14965 1/20 0.35
TPX2 Q9ULW0 1/20 0.35
KMO O15229 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
PKM P14618 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
SYK P43405 1/20 0.35
PTGFR P43088 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35

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
SCHEMBL30006713 1.00 EGLN1 (0.35) EGLN1AURKATPX2KMOCA12
SCHEMBL23930098 0.86 NOTUM (0.41) CA12CA1CA2CA7CA9
SCHEMBL30007681 0.86 NOTUM (0.41) CA12CA1CA2CA7CA9
SCHEMBL23904745 0.82 CA12 (0.50) CA12CA1CA2CA3PKM
SCHEMBL30007888 0.81 CA12 (0.35) CA12CA1CA2CA3PKM
SCHEMBL23930195 0.81 CA12 (0.35) CA12CA1CA2CA3PKM
SCHEMBL30007379 0.79 CA12 (0.39) CA12CA1CA2CA3PKM
SCHEMBL23930093 0.79 CA12 (0.39) CA12CA1CA2CA3PKM
SCHEMBL23905575 0.77 HCRTR1 (0.35) CA12CA1CA2CA3PKM
SCHEMBL23904799 0.77 KMT2A (0.41) KMOCA12CA1CA2CA3

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 EGLN1 690/4885AURKA 2846/4885TPX2 1750/4885

“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.