SCHEMBL16923317

SCHEMBL16923317

CCc1cc(C#N)cc(F)c1N(C)c1cc(NC(=O)[C@@H]2C[C@@H]2F)c2ncn(C)c2c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 7/20 0.60
▸ JAK2 O60674 6/20 0.60
▸ JAK1 P23458 5/20 0.60
▸ JAK3 P52333 5/20 0.60
▸ MAP4K1 Q92918 2/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ ABL1 P00519 1/20 0.31
▸ IDO1 P14902 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
SCHEMBL16909248 1.00 TYK2 (0.60) TYK2JAK2JAK1JAK3MAP4K1
SCHEMBL20459485 1.00 TYK2 (0.60) TYK2JAK2JAK1JAK3MAP4K1
SCHEMBL16909282 0.90 TYK2 (0.73) TYK2JAK2JAK1JAK3
SCHEMBL16909292 0.89 TYK2 (0.47) TYK2JAK2JAK1JAK3MAP4K1
SCHEMBL20459484 0.89 TYK2 (0.47) TYK2JAK2JAK1JAK3MAP4K1
SCHEMBL16909247 0.86 JAK2 (0.57) TYK2JAK2JAK1JAK3
SCHEMBL16909275 0.85 TYK2 (0.44) TYK2JAK2JAK1JAK3MAP4K1
SCHEMBL18409119 0.85 TYK2 (0.62) TYK2JAK2JAK1JAK3MAP4K1
SCHEMBL18398513 0.85 TYK2 (0.62) TYK2JAK2JAK1JAK3MAP4K1
SCHEMBL18409549 0.85 TYK2 (0.62) TYK2JAK2JAK1JAK3MAP4K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152922-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2019-05-23 — — US disclosed
US-10179771-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2019-01-15 — — US disclosed
EP-3097083-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2018-08-08 — — EP disclosed
US-20170057928-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2017-03-02 — — US disclosed
US-20170057928-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2017-03-02 — — US disclosed
US-9440929-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2016-09-13 — — US disclosed
US-9440929-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2016-09-13 — — US disclosed
WO-2015110378-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2015-07-30 — — WO disclosed
US-20150203455-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2015-07-23 — — US disclosed
US-20150203455-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2015-07-23 — — 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 (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-20190152922-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS JAK1, IL6, JAK3 TYK2 41/4885JAK2 5/4885JAK1 1/4885
US-10179771-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders JAK1, JAK3, IL6 TYK2 31/4885JAK2 4/4885JAK1 1/4885
US-20170057928-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS JAK1, IL6, JAK3 TYK2 41/4885JAK2 5/4885JAK1 1/4885
US-20150203455-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS JAK1, IL6, JAK3 TYK2 41/4885JAK2 5/4885JAK1 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.

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