SCHEMBL16458451

SCHEMBL16458451

Cn1ncc2ccc(-c3cccnc3Cl)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 1/20 0.43
CCNC P24863 3/20 0.43
CDK8 P49336 3/20 0.43
CYP1A2 P05177 2/20 0.43
GRM4 Q14833 1/20 0.43
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
METAP2 P50579 1/20 0.42
SYK P43405 2/20 0.41
MET P08581 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
SLC16A3 O15427 2/20 0.39
SLC16A1 P53985 2/20 0.39
RORC P51449 1/20 0.39
SLC2A1 P11166 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL16459575 0.89 TRPA1 (0.56) TRPA1KDM4ELMNACCNCCDK8
SCHEMBL15730157 0.84 METAP2 (0.46) TRPA1CCNCCDK8CYP1A2GRM4
SCHEMBL15639038 0.83 KDM4E (0.45) TRPA1KDM4ELMNACYP1A2GRM4
SCHEMBL18853878 0.82 SYK (0.45) TRPA1CCNCCDK8CYP1A2GRM4
SCHEMBL15723907 0.82 TRPA1 (0.43) TRPA1CCNCCDK8CYP1A2GRM4
SCHEMBL16459471 0.79 TRPA1 (0.51) TRPA1CCNCCDK8CYP1A2GRM4
SCHEMBL15639421 0.78 KMO (0.46) METAP2SYKMETSLC16A3SLC16A1
SCHEMBL16460224 0.77 KDM4E (0.45) TRPA1KDM4ELMNACYP1A2METAP2
SCHEMBL15639110 0.77 KHK (0.42) TRPA1CCNCCDK8CYP1A2GRM4
SCHEMBL15639567 0.77 KMO (0.44) TRPA1CCNCCDK8CYP1A2GRM4

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 30 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 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
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-9878992-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-9518040-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-12-13 US disclosed
US-9518040-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-12-13 US disclosed
US-20160052909-A1 GDF-8 Inhibitors MIDCAP FINANCIAL TRUST 2016-02-25 US 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 TRPA1 4474/4885KDM4E 3151/4885LMNA 958/4885
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use TGFBR1, TGFBR2, ACVR1 TRPA1 4073/4885KDM4E 794/4885LMNA 2723/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 TRPA1 4082/4885KDM4E 984/4885LMNA 2828/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 TRPA1 4202/4885KDM4E 1322/4885LMNA 2617/4885
US-20160052909-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 TRPA1 4474/4885KDM4E 3151/4885LMNA 958/4885

“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.