SCHEMBL2600281

SCHEMBL2600281

Cc1cnn(C2CCCNC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
BMPR1A P36894 1/20 0.42
ACVRL1 P37023 1/20 0.42
ACVR1 Q04771 1/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
TLR8 Q9NR97 1/20 0.38
MET P08581 1/20 0.38
KDR P35968 1/20 0.37
AURKB Q96GD4 1/20 0.37
OGA O60502 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
RPS6KA5 O75582 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KHK P50053 2/20 0.34

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
SCHEMBL12179224 1.00 JAK2 (0.42) JAK2JAK1TYK2JAK3BMPR1A
SCHEMBL16814134 0.90 CHRNB2 (0.49) CHRNB2CHRNA4METOGAKHK
SCHEMBL12179238 0.90 CHRNB2 (0.49) CHRNB2CHRNA4METOGAKHK
SCHEMBL12121178 0.90 CHRNB2 (0.49) CHRNB2CHRNA4METOGAKHK
SCHEMBL16899735 0.84 BMPR1A (0.42) JAK2JAK1TYK2JAK3BMPR1A
SCHEMBL16899731 0.84 BMPR1A (0.42) JAK2JAK1TYK2JAK3BMPR1A
SCHEMBL16899815 0.84 BMPR1A (0.42) JAK2JAK1TYK2JAK3BMPR1A
SCHEMBL12121415 0.83 CHRNB2 (0.40) JAK1CHRNB2CHRNA4METOGA
Hydrochloric Acid SCHEMBL16899760 0.83 BMPR1A (0.41) JAK2JAK1TYK2JAK3BMPR1A
Hydrochloric Acid SCHEMBL16899730 0.83 BMPR1A (0.41) JAK2JAK1TYK2JAK3BMPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-11590116-B2 Substituted pyridines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-02-28 US disclosed
WO-2021102468-A1 SUBSTITUTED 1,5-NAPHTHYRIDINES OR QUINOLINES AS ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 WO disclosed
US-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 US disclosed
EP-3336091-B1 IRAK4 INHIBITOR AND USE THEREOF BEIJING HANMI PHARMACEUTICAL CO LTD (CN) 2020-12-02 EP disclosed
US-8163775-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2012-04-24 US disclosed
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-01-26 US disclosed
US-8030331-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2011-10-04 US disclosed
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-05-12 US disclosed
US-7834035-B2 Schizophrenia and related disorders; positive allosteric modulators of mGluR5; {3-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-phenyl-methanone for example; compounds are all contain a 5-(1-carbonylpiperidin-3-yl)-1,2,4-oxadiazole moiety ADDEX PHARMA SA (CH) 2010-11-16 US disclosed
WO-2009153589-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-12-23 WO disclosed
US-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2007-09-20 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-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM2, GRM1 JAK2 1798/4885JAK1 2696/4885TYK2 2291/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 JAK2 1798/4885JAK1 2696/4885TYK2 2291/4885
US-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A JAK2 766/4885JAK1 1728/4885TYK2 461/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 JAK2 1798/4885JAK1 2696/4885TYK2 2291/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A JAK2 766/4885JAK1 1728/4885TYK2 461/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A JAK2 766/4885JAK1 1728/4885TYK2 461/4885

“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.