SCHEMBL22016207

SCHEMBL22016207

CCc1ncc(F)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 2/20 0.39
POLQ O75417 1/20 0.34
CFTR P13569 1/20 0.33
RXRA P19793 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
AR P10275 3/20 0.33
IDO1 P14902 2/20 0.33
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
VNN1 O95497 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL22923153 0.85 AGBL2 (0.39) AGBL2RXRAGRIN1GRIN2B
SCHEMBL21859472 0.81 AR (0.35) AGBL2POLQARSLC6A2SLC6A4
SCHEMBL24424327 0.81 IDO1 (0.36) AGBL2POLQIDO1HDAC3HDAC1
SCHEMBL29585366 0.81 IDO1 (0.36) AGBL2POLQIDO1HDAC3HDAC1
SCHEMBL12294401 0.79 L3MBTL1 (0.41) AGBL2POLQCFTRRXRAGRIN1
SCHEMBL12332817 0.77 VNN1 (0.38) POLQRXRAGRIN1GRIN2BAR
SCHEMBL12332513 0.77 KIF11 (0.36) AGBL2POLQCFTRRXRAGRIN1
SCHEMBL20321230 0.77 CFTR (0.34) AGBL2POLQCFTRRXRAGRIN1
SCHEMBL26138263 0.77 RXRA (0.38) AGBL2POLQCFTRRXRAGRIN1
SCHEMBL10264384 0.75 AGBL2 (0.43) AGBL2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-08-05 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 US 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 (5 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-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R AGBL2 849/4885POLQ 2472/4885CFTR 1630/4885
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R AGBL2 849/4885POLQ 2472/4885CFTR 1630/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 AGBL2 2875/4885POLQ 396/4885CFTR 1/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 AGBL2 2875/4885POLQ 396/4885CFTR 1/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 AGBL2 2875/4885POLQ 396/4885CFTR 1/4885

“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.