SCHEMBL25367653

SCHEMBL25367653

Oc1cc2[nH]nc(F)c2cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
MAP2K4 P45985 4/20 0.36
FGFR1 P11362 3/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
PDPK1 O15530 1/20 0.34
HSP90AB1 P08238 1/20 0.34
FGFR2 P21802 2/20 0.33
FGFR3 P22607 1/20 0.33
GRM4 Q14833 1/20 0.33
SRC P12931 1/20 0.32
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
JAK2 O60674 3/20 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
SCHEMBL29493868 1.00 ESR1 (0.36) ESR1MAP2K4FGFR1PRKAB2PRKAG1
SCHEMBL23830502 0.76 PDPK1 (0.36) MAP2K4PDPK1JAK2TRPA1MAP2K7
SCHEMBL30536586 0.76 PDPK1 (0.36) MAP2K4PDPK1JAK2TRPA1MAP2K7
SCHEMBL25340984 0.72 PDPK1 (0.36) MAP2K4PDPK1JAK2TRPA1MAP2K7
SCHEMBL25478420 0.68 PARP1 (0.33) MAP2K4PDPK1GRM4TRPA1
SCHEMBL14095607 0.67 ITK (0.49) MAP2K4PDPK1JAK2MAPK1MAPK6
SCHEMBL23842674 0.66 SLC6A2 (0.43)
SCHEMBL24424194 0.64 MAP2K4 (0.49) MAP2K4FGFR1PRKAB2PRKAG1PRKAA2
SCHEMBL30536603 0.64 FGFR1 (0.60) FGFR1FGFR2FGFR3TRPA1MAPK1
SCHEMBL15288061 0.64 PDPK1 (0.63) MAP2K4PDPK1JAK2

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-20240083853-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-03-14 US disclosed
CN-116600801-A HSD17B13 inhibitors and uses thereof FL2022-001公司 2023-08-15 CN disclosed
EP-4221701-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, Inc. (US) 2023-08-09 EP disclosed
WO-2022072491-A1 HSD17B13 INHIBITORS AND USES THEREOF METACRINE, INC. (US) 2022-04-07 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-20240083853-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 ESR1 1569/4885MAP2K4 3810/4885FGFR1 3823/4885

“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.