SCHEMBL15638796

SCHEMBL15638796

Cc1cc(-c2ncc(NCc3ccc(C#N)cc3)cc2-c2ccc3nccnc3c2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 7/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KDM1A O60341 2/20 0.40
▸ PRKD1 Q15139 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ EGLN2 Q96KS0 1/20 0.40
▸ LRRK2 Q5S007 2/20 0.39
▸ CCNT1 O60563 3/20 0.38
▸ CDK9 P50750 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SHMT2 P34897 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ VNN1 O95497 1/20 0.36

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
SCHEMBL15637673 0.88 GRIN2B (0.40) TGFBR1KDM4EALDH1A1POLBGAA
SCHEMBL15638583 0.87 TGFBR1 (0.46) TGFBR1KDM4EALDH1A1POLBGAA
SCHEMBL16473256 0.86 SHMT2 (0.36) TGFBR1PRKD1MAPK14LRRK2SHMT2
SCHEMBL18712078 0.85 SHMT2 (0.37) TGFBR1MAPK14LRRK2SHMT2
SCHEMBL15637099 0.84 TGFBR1 (0.46) TGFBR1MAPK14CCNT1CDK9VNN1
SCHEMBL15638115 0.83 MEN1 (0.47) TGFBR1ALDH1A1MAPK14CYP1A2CYP2D6
SCHEMBL15638172 0.80 GRIN1 (0.42) TGFBR1KDM4EMAPK14CCNT1CDK9
SCHEMBL21363901 0.78 TGFBR1 (0.42) TGFBR1MAPK14LRRK2SHMT2
SCHEMBL15638185 0.76 TGFBR1 (0.42) TGFBR1MAPK14LRRK2
SCHEMBL15638436 0.76 TGFBR1 (0.48) TGFBR1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-9878992-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-01-30 — — 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-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
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
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 (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 TGFBR1 128/4885KDM4E 3151/4885ALDH1A1 4746/4885
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use TGFBR1, TGFBR2, ACVR1 TGFBR1 1/4885KDM4E 794/4885ALDH1A1 1028/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 TGFBR1 2/4885KDM4E 984/4885ALDH1A1 2008/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 TGFBR1 3/4885KDM4E 1322/4885ALDH1A1 1958/4885
US-20160052909-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 TGFBR1 128/4885KDM4E 3151/4885ALDH1A1 4746/4885

“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.

Send feedback