SCHEMBL2722754

SCHEMBL2722754

c1cncc(-c2cncs2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.77
DYRK1B Q9Y463 3/20 0.69
DYRK2 Q92630 1/20 0.69
CYP2A6 P11509 13/20 0.59
CYP3A4 P08684 7/20 0.59
CYP2C9 P11712 6/20 0.59
CYP2B6 P20813 6/20 0.59
CYP2E1 P05181 5/20 0.59
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 5/20 0.50
CYP2D6 P10635 3/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL12601804 0.84 DYRK1A (0.60) DYRK1ADYRK1BDYRK2CYP2A6CYP3A4
SCHEMBL24089574 0.82 DYRK1A (0.56) DYRK1ADYRK1BDYRK2CYP2A6CYP3A4
SCHEMBL48894 0.82 DYRK1A (0.55) DYRK1ADYRK1BDYRK2ALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL28177501 0.80 DYRK1A (0.53) DYRK1ADYRK1BDYRK2ALDH1A1KDM4E
SCHEMBL8686043 0.79
SCHEMBL1771536 0.79 DYRK1A (0.58) DYRK1ADYRK1BDYRK2CYP2A6CYP3A4
SCHEMBL1872880 0.77 DYRK1A (0.55) DYRK1ADYRK1BDYRK2CYP2A6CYP3A4
SCHEMBL29360677 0.76 CYP2A6 (0.88) DYRK1ADYRK1BCYP2A6CYP3A4CYP2C9
SCHEMBL13907273 0.76 CYP2A6 (0.88) DYRK1ADYRK1BCYP2A6CYP3A4CYP2C9
SCHEMBL24534338 0.76 CYP2A6 (0.88) DYRK1ADYRK1BCYP2A6CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
US-20200369658-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2020-11-26 US disclosed
US-9926307-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2018-03-27 US disclosed
US-20170334948-A1 LIGANDS FOR ANTIBODY AND FC-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMOTOGRAPHY IV NOVALIX DEUTSCHLAND GMBH (DE) 2017-11-23 US disclosed
US-20170247365-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2017-08-31 US disclosed
US-9745339-B2 Ligands for antibody and Fc-fusion protein purification by affinity chromotography IV NOVALIX DEUTSCHLAND GMBH (DE) 2017-08-29 US disclosed
US-20160009760-A1 LIGANDS FOR ANTIBODY AND FC-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMOTOGRAPHY IV GRAFFINITY PHARMACEUTICALS GMBH (DE) 2016-01-14 US disclosed
US-20150373978-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER IP GMBH (DE) 2015-12-31 US disclosed
US-9173396-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
CN-104395335-A Ligands for antibody and fc-fusion protein purification by affinity chromotography iv GRAFFINITY PHARMACEUTICALS GMBH 2015-03-04 CN disclosed
US-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-01 US disclosed
CN-101522670-A Pyridin-3-yl derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN disclosed
EP-2069335-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008029370-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
EP-1893607-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-03-05 EP disclosed
WO-2006135604-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2006-12-21 WO disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed
US-5106732-A Using oxazole or thiazole derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-21 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 (8 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 DYRK1A 1092/4885DYRK1B 1711/4885DYRK2 1777/4885
US-20170334948-A1 LIGANDS FOR ANTIBODY AND FC-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMOTOGRAPHY IV FCGR1A, FCGR2A, FCGR3B DYRK1A 4517/4885DYRK1B 4589/4885DYRK2 4377/4885
US-20160009760-A1 LIGANDS FOR ANTIBODY AND FC-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMOTOGRAPHY IV FCGR1A, FCGR2A, FCGR3B DYRK1A 4475/4885DYRK1B 4540/4885DYRK2 4296/4885
US-20200369658-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 DYRK1A 1587/4885DYRK1B 1695/4885DYRK2 2505/4885
US-20170247365-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 DYRK1A 1587/4885DYRK1B 1695/4885DYRK2 2505/4885
US-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents CD4, FCGRT, CD47 DYRK1A 1085/4885DYRK1B 1364/4885DYRK2 1123/4885
US-20150373978-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS DYRK1A 4297/4885DYRK1B 4375/4885DYRK2 4238/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 DYRK1A 1587/4885DYRK1B 1695/4885DYRK2 2505/4885

“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.