Sugi Predict

Sugi Predict / Compounds / SCHEMBL1613033

SCHEMBL1613033

SCHEMBL1613033

CN(C)/C=N/c1ccc(Br)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.46
▸ ADRA2B P18089 2/20 0.46
▸ ADRA2C P18825 2/20 0.46
▸ PLAU P00749 1/20 0.46
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ PKM P14618 1/20 0.39
▸ GBA1 P04062 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPT P10636 4/20 0.37
▸ HTT P42858 2/20 0.37
▸ BLM P54132 1/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HBB P68871 1/20 0.35
▸ NPC1 O15118 2/20 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
SCHEMBL1356188 1.00 ADRA2A (0.46) ADRA2AADRA2BADRA2CPLAUKMT2A
SCHEMBL29843746 1.00 ADRA2A (0.46) ADRA2AADRA2BADRA2CPLAUKMT2A
SCHEMBL1356189 1.00 ADRA2A (0.46) ADRA2AADRA2BADRA2CPLAUKMT2A
SCHEMBL1356192 0.79 ADRA2A (0.47) ADRA2AADRA2BADRA2CPLAUKMT2A
SCHEMBL1356191 0.79 ADRA2A (0.47) ADRA2AADRA2BADRA2CPLAUKMT2A
SCHEMBL1355451 0.78 ADRA2A (0.46) ADRA2AADRA2BADRA2CPLAUKMT2A
SCHEMBL1354605 0.78 ALDH1A1 (0.39) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL5930843 0.78 KMT2A (0.37) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL5930842 0.78 KMT2A (0.37) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL12998317 0.78 ADRA2A (0.46) ADRA2AADRA2BADRA2CPLAUKMT2A

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 40 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
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 — — EP disclosed
US-10947225-B2 Phosphotidylinositol 3-kinase inhibitors EMORY UNIVERSITY (US) 2021-03-16 — — 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-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2020-12-08 — — US disclosed
WO-2020041562-A1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT CLAVIUS PHARMACEUTICALS, LLC (US) 2020-02-27 — — WO 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-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
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
US-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-27 — — 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 (6 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-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PI4KA, PIP4K2A ADRA2A 933/4885ADRA2B 558/4885ADRA2C 936/4885
US-20140107073-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 ADRA2A 2373/4885ADRA2B 1992/4885ADRA2C 2924/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 ADRA2A 1606/4885ADRA2B 1068/4885ADRA2C 1449/4885
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 ADRA2A 2666/4885ADRA2B 2376/4885ADRA2C 2653/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 ADRA2A 1468/4885ADRA2B 916/4885ADRA2C 1346/4885
US-10947225-B2 Phosphotidylinositol 3-kinase inhibitors PIK3CA, PIK3CB, PIK3CG ADRA2A 3995/4885ADRA2B 4636/4885ADRA2C 4331/4885

“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.