SCHEMBL15638539

SCHEMBL15638539

Nc1cnc(-c2cccc(C3CC3)c2)c(-c2ccc3ncsc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.41
▸ TGFBR1 P36897 11/20 0.40
▸ ADORA2A P29274 1/20 0.38
▸ VRK1 Q99986 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ MAPK14 Q16539 1/20 0.35
▸ PFKFB3 Q16875 2/20 0.34
▸ RIPK1 Q13546 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ BMPR1A P36894 1/20 0.33
▸ SMAD2 Q15796 1/20 0.33

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
SCHEMBL15637493 0.84 TGFBR1 (0.44) DYRK1ATGFBR1ADORA2AUSP30MAPK14
SCHEMBL15639036 0.83 DYRK1A (0.46) DYRK1ATGFBR1ADORA2AVRK1USP30
SCHEMBL15636773 0.82 DYRK1A (0.44) DYRK1ATGFBR1ADORA2AVRK1MAPK14
SCHEMBL17177309 0.77 DHODH (0.33) ADORA2ADHODH
SCHEMBL15637853 0.75 TGFBR1 (0.57) DYRK1ATGFBR1VRK1MAPK14PFKFB3
SCHEMBL15638173 0.74 ROCK2 (0.43) DYRK1ATGFBR1
SCHEMBL18791326 0.70 SLC6A2 (0.47) DYRK1ATGFBR1USP30
SCHEMBL27262042 0.68 DYRK1A (0.58) DYRK1AVRK1MAPK14PFKFB3RIPK1
SCHEMBL20658605 0.66 DYRK1A (0.56) DYRK1ATGFBR1ADORA2AVRK1MAPK14
SCHEMBL23480164 0.66 DYRK1A (0.57) DYRK1ATGFBR1ADORA2AVRK1MAPK14

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 — — EP claimed
EP-2903978-A1 GDF-8 INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2015-08-12 — — EP claimed
US-20140107073-A1 GDF-8 Inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-04-17 — — US claimed
WO-2014055955-A1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-04-10 — — WO claimed
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 — — EP disclosed
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2020-12-08 — — US disclosed
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2020-12-08 — — US disclosed
CN-106536507-B 2, 3-disubstituted pyridine compounds as TGF- β inhibitors and methods of use thereof 里格尔药品股份有限公司 2020-04-07 — — CN disclosed
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2019-09-19 — — US disclosed
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2019-09-19 — — US disclosed
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2019-03-19 — — US disclosed
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2019-03-19 — — US disclosed
US-9145433-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-09-29 — — US disclosed
US-9145433-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-09-29 — — US disclosed
US-9145433-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-09-29 — — US disclosed
EP-2903978-A1 GDF-8 INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2015-08-12 — — EP disclosed
US-20140107073-A1 GDF-8 Inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-04-17 — — US disclosed
US-20140107073-A1 GDF-8 Inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-04-17 — — US disclosed
US-20140107073-A1 GDF-8 Inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-04-17 — — US disclosed
WO-2014055955-A1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-04-10 — — 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-20140107073-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 DYRK1A 4041/4885TGFBR1 128/4885ADORA2A 3415/4885
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use TGFBR1, TGFBR2, ACVR1 DYRK1A 3406/4885TGFBR1 1/4885ADORA2A 1934/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 DYRK1A 2300/4885TGFBR1 2/4885ADORA2A 1502/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 DYRK1A 2482/4885TGFBR1 3/4885ADORA2A 1392/4885

“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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