SCHEMBL13827240

SCHEMBL13827240

COc1cc2c(cc1F)C(=O)NC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.47
NTRK1 P04629 2/20 0.47
FLT3 P36888 2/20 0.47
GSK3B P49841 2/20 0.47
DAPK3 O43293 1/20 0.47
PIM1 P11309 1/20 0.47
ROCK1 Q13464 1/20 0.47
GRM5 P41594 4/20 0.44
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
TDP2 O95551 1/20 0.42
DYRK1B Q9Y463 2/20 0.38
NTRK2 Q16620 2/20 0.38
TYRO3 Q06418 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
FYN P06241 1/20 0.38
JAK2 O60674 1/20 0.37
MET P08581 1/20 0.37
FGFR1 P11362 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
SCHEMBL4780926 0.93 CLK4 (0.47) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL10200127 0.86 CYP3A4 (0.49) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL26768115 0.85 GSK3B (0.47) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL26768110 0.83 CLK4 (0.48) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL26779619 0.82 DAPK3 (0.44) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL27085780 0.81 HTR2A (0.49) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL31632643 0.81 HTR2A (0.49) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL26779627 0.81 GSK3B (0.43) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL6114214 0.80 S100B (0.40) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL1079809 0.80 CLK4 (0.51) CLK4NTRK1FLT3GSK3BDAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS VERNALIS (R&D) LTD (GB) 2024-05-09 US disclosed
EP-4277892-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS Les Laboratoires Servier (FR) 2023-11-22 EP disclosed
CN-116940552-A Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2023-10-24 CN disclosed
US-20230019280-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2023-01-19 US disclosed
US-20230019280-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2023-01-19 US disclosed
WO-2022152705-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-07-21 WO disclosed
US-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-08-19 US disclosed
US-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-08-19 US disclosed
WO-2021097075-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2021-05-20 WO disclosed
EP-3793550-A2 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-03-24 EP disclosed
US-9365512-B2 Isoindoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-06-14 US disclosed
US-9309200-B2 Benzazepine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-04-12 US disclosed
US-20130210880-A1 ISOINDOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE INC. (US) 2013-08-15 US disclosed
WO-2012152915-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-11-15 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 (4 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-20130210880-A1 ISOINDOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY CYP11B2, CPT1A, SLC10A1 CLK4 1969/4885NTRK1 4408/4885FLT3 3415/4885
US-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BAX, BCL2A1 CLK4 3812/4885NTRK1 4840/4885FLT3 4004/4885
US-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HMBS CLK4 3961/4885NTRK1 4580/4885FLT3 752/4885
US-20230019280-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HCCS CLK4 3236/4885NTRK1 4493/4885FLT3 2281/4885

“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.