SCHEMBL20865833

SCHEMBL20865833

Nc1c(I)cc(Br)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
CA3 P07451 1/20 0.39
GAA P10253 1/20 0.35
MAPT P10636 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
SCHEMBL30949547 0.80 CA1 (0.37) CA1CA2CA9CA3GAA
SCHEMBL14741489 0.80 CA1 (0.37) CA1CA2CA9CA3GAA
SCHEMBL21224952 0.77 CA1 (0.39) CA1CA2CA9CA3
SCHEMBL31460781 0.76 CA1 (0.42) CA1CA2CA9CA3
SCHEMBL17164236 0.75 CA1 (0.42) CA1CA2CA9CA3
SCHEMBL3726607 0.75 CA1 (0.43) CA1CA2CA9CA3GAA
SCHEMBL3306702 0.75 GAA (0.38) CA1CA2CA9CA3GAA
SCHEMBL15901350 0.75
SCHEMBL21224880 0.74 CA1 (0.38) CA1CA2CA9CA3
SCHEMBL30152126 0.74 CA1 (0.38) CA1CA2CA9CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720036-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 16380026 Canada Inc. (CA) 2026-04-08 EP disclosed
WO-2024243692-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF QUEEN'S UNIVERSITY AT KINGSTON (CA) 2024-12-05 WO disclosed
US-12018033-B2 Inhibitors of protein arginine deiminases FORWARD THERAPEUTICS, INC. (US) 2024-06-25 US disclosed
EP-3702354-B1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF HAIHE BIOPHARMA CO LTD (CN) 2024-05-22 EP disclosed
US-20230151018-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES FORWARD THERAPEUTICS, INC. 2023-05-18 US disclosed
US-20230151018-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES FORWARD THERAPEUTICS, INC. 2023-05-18 US disclosed
WO-2023023474-A1 TR-BETA MODULATORS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS SENYA PHARMACEUTICALS, INC. (US) 2023-02-23 WO disclosed
US-11465984-B2 Compound having ERK kinase inhibitory activity and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2022-10-11 US disclosed
US-11453676-B2 Inhibitors of protein arginine deiminases FORWARD THERAPEUTICS, INC. (US) 2022-09-27 US disclosed
WO-2021144440-A1 QUINOXALINE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR Grünenthal GmbH (DE) 2021-07-22 WO disclosed
US-20210053975-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES FORWARD THERAPEUTICS, INC. 2021-02-25 US disclosed
EP-3746430-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES Padforward LLC (US) 2020-12-09 EP disclosed
EP-3702354-A1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF Shanghai Haihe Pharmaceutical Co., Ltd. (CN) 2020-09-02 EP disclosed
EP-3702354-A1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF Shanghai Haihe Pharmaceutical Co., Ltd. (CN) 2020-09-02 EP disclosed
US-20200247781-A1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF HAIHE BIOPHARMA CO., LTD. (CN) 2020-08-06 US disclosed
WO-2019152883-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADFORWARD LLC (US) 2019-08-08 WO disclosed
WO-2019152883-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADFORWARD LLC (US) 2019-08-08 WO disclosed
WO-2019062949-A1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF 上海海和药物研究开发有限公司 2019-04-04 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 (6 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-11465984-B2 Compound having ERK kinase inhibitory activity and use thereof MAPK1, MAPK4, MAPK7 CA1 3819/4885CA2 3005/4885CA9 4109/4885
US-20200247781-A1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF MAPK1, MAPK4, MAPK7 CA1 3819/4885CA2 3005/4885CA9 4109/4885
US-20230151018-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADI2, PADI1, PADI4 CA1 2686/4885CA2 2271/4885CA9 3854/4885
US-11453676-B2 Inhibitors of protein arginine deiminases PADI2, PADI1, PADI4 CA1 2915/4885CA2 2603/4885CA9 4042/4885
US-20210053975-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADI2, PADI1, PADI4 CA1 2686/4885CA2 2271/4885CA9 3854/4885
US-12018033-B2 Inhibitors of protein arginine deiminases PADI2, PADI1, PADI4 CA1 2783/4885CA2 2710/4885CA9 3919/4885

“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.