SCHEMBL17165437

SCHEMBL17165437

Cc1cc(-c2ncccc2-c2c[nH]c3ncccc23)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.52
CLK4 Q9HAZ1 4/20 0.51
CDC7 O00311 4/20 0.51
MAP4K4 O95819 3/20 0.51
PIM1 P11309 3/20 0.51
PRKACA P17612 3/20 0.51
GSK3B P49841 3/20 0.51
ROCK2 O75116 3/20 0.51
CDK2 P24941 2/20 0.51
HIPK2 Q9H2X6 2/20 0.51
IRAK4 Q9NWZ3 1/20 0.51
DYRK1B Q9Y463 4/20 0.49
IKBKE Q14164 3/20 0.49
ROCK1 Q13464 3/20 0.49
TBK1 Q9UHD2 2/20 0.49
CDK8 P49336 2/20 0.49
LRRK2 Q5S007 2/20 0.49
DAPK3 O43293 2/20 0.49
PRKD3 O94806 2/20 0.49
PAK4 O96013 2/20 0.49

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
SCHEMBL857290 0.89 CDC7 (0.64) DYRK1ACLK4CDC7MAP4K4PIM1
SCHEMBL17165387 0.81 CDC7 (0.54) DYRK1ACLK4CDC7MAP4K4PIM1
SCHEMBL857665 0.78 CDC7 (0.68) DYRK1ACLK4CDC7MAP4K4PIM1
SCHEMBL15637831 0.77 CA12 (0.45) DYRK1ACLK4MAP4K4PIM1PRKACA
SCHEMBL17895432 0.76 CDC7 (0.69) DYRK1ACLK4CDC7MAP4K4PIM1
SCHEMBL29484276 0.76 CDC7 (0.69) DYRK1ACLK4CDC7MAP4K4PIM1
SCHEMBL15638024 0.76 TGFBR1 (0.46) DYRK1ACLK4MAP4K4PIM1PRKACA
SCHEMBL28891614 0.76 DAPK3 (0.46) DYRK1ACLK4MAP4K4PIM1PRKACA
SCHEMBL28421012 0.76 CYP2A6 (0.53) TGFBR1TDO2
SCHEMBL21317946 0.75 GSK3B (0.37) DYRK1ACLK4MAP4K4PIM1PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3129367-B1 2,3-DISUBSTITUTED PYRIDINE COMPOUNDS AS TGF-BETA INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2019-09-04 EP disclosed
EP-3129367-B1 2,3-DISUBSTITUTED PYRIDINE COMPOUNDS AS TGF-BETA INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2019-09-04 EP 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-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use MIDCAP FINANCIAL TRUST 2017-04-06 US disclosed
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use MIDCAP FINANCIAL TRUST 2017-04-06 US disclosed
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use MIDCAP FINANCIAL TRUST 2017-04-06 US disclosed
EP-3129367-A1 2,3-DISUBSTITUTED PYRIDINE COMPOUNDS AS TGF-BETA INHIBITORS AND METHODS OF USE Rigel Pharmaceuticals, Inc. (US) 2017-02-15 EP disclosed
WO-2015157093-A1 2,3-DISUBSTITUTED PYRIDINE COMPOUNDS AS TGF-BETA INHIBITORS AND METHODS OF USE RIGEL PHARMACEUTICALS, INC. (US) 2015-10-15 WO disclosed
WO-2015157093-A1 2,3-DISUBSTITUTED PYRIDINE COMPOUNDS AS TGF-BETA INHIBITORS AND METHODS OF USE RIGEL PHARMACEUTICALS, INC. (US) 2015-10-15 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-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use TGFBR1, TGFBR2, ACVR1 DYRK1A 3406/4885CLK4 3205/4885CDC7 811/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 DYRK1A 2300/4885CLK4 3110/4885CDC7 736/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 DYRK1A 2482/4885CLK4 3162/4885CDC7 742/4885
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR1, TGFBR2, ACVR1 DYRK1A 3406/4885CLK4 3205/4885CDC7 811/4885

“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.