SCHEMBL558114

SCHEMBL558114

Nc1cncc(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 2/20 0.54
MAOA P21397 1/20 0.54
MKNK1 Q9BUB5 2/20 0.52
MKNK2 Q9HBH9 2/20 0.52
ATM Q13315 1/20 0.50
DYRK1A Q13627 1/20 0.49
MEN1 O00255 2/20 0.48
PSIP1 O75475 1/20 0.48
AXL P30530 1/20 0.48
CYP3A4 P08684 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP11B1 P15538 4/20 0.46
CYP11B2 P19099 4/20 0.46
CHRNA7 P36544 1/20 0.44
MAPT P10636 1/20 0.43
CASP1 P29466 1/20 0.43
FDPS P14324 1/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL30337602 0.88 CYP11B1 (0.55) DYRK1BMKNK1MKNK2DYRK1AMEN1
SCHEMBL29521950 0.85 MAOA (0.72) MAOAMKNK1MKNK2MEN1PSIP1
SCHEMBL18745741 0.84 HSD17B10 (0.65) MAOAMKNK1MKNK2ATMMEN1
SCHEMBL27993963 0.83 MAOA (0.52) DYRK1BMAOAMKNK1MKNK2MEN1
SCHEMBL21692173 0.83 ATM (0.62) MKNK1MKNK2ATMCYP3A4CYP11B1
SCHEMBL722248 0.83 ATM (0.62) MKNK1MKNK2ATMCYP3A4CYP11B1
SCHEMBL6754399 0.83 MKNK1 (0.71) DYRK1BMKNK1MKNK2DYRK1AMEN1
SCHEMBL30268308 0.83 MKNK1 (0.71) DYRK1BMKNK1MKNK2DYRK1AMEN1
SCHEMBL4152091 0.82 NTRK1 (0.55) DYRK1BMKNK1MKNK2DYRK1AMEN1
Hydrochloric Acid SCHEMBL6756841 0.81 MKNK1 (0.69) DYRK1BMKNK1MKNK2DYRK1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974067-A High-thermal-conductivity graphite film of pyridine ring modified polyimide and preparation method thereof 富优特(山东)新材料科技有限公司 2023-04-18 CN claimed
WO-2021117846-A1 COMPOUND SERVING AS PDGF RECEPTOR KINASE INHIBITOR, AND COMPOSITION 日本新薬株式会社 2021-06-17 WO claimed
EP-4638445-A1 1,2,4-THIAZOLIDIN-3-ONE-1,1-DIOXIDE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE Bristol-Myers Squibb Company (US) 2025-10-29 EP disclosed
US-20250145642-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE Kineta, Inc. 2025-05-08 US disclosed
CN-119874668-A Main protease regulator and application thereof 北京昌平实验室 2025-04-25 CN disclosed
CN-118946360-A Bicyclic heteroarenes and methods of use thereof 奇尼塔公司 2024-11-12 CN disclosed
EP-4444317-A2 BICYCLIC HETEROARENES AND METHODS OF THEIR USE Kineta, Inc. (US) 2024-10-16 EP disclosed
US-20240228476-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-11 US disclosed
EP-4395499-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2024-07-03 EP disclosed
EP-4395521-A1 CONDENSED CYCLIC COMPOUND, LIGHT-EMITTING DEVICE COMPRISING THE CONDENSED CYCLIC COMPOUND, AND ELECTRONIC APPARATUS COMPRISING THE LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2024-07-03 EP disclosed
WO-2024137727-A1 1,2,4-THIAZOLIDIN-3-ONE-1,1-DIOXIDE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2024-06-27 WO disclosed
US-7390798-B2 Carboxamide spirolactam CGRP receptor antagonists MERCK & CO., INC. (US) 2008-06-24 US disclosed
US-7390798-B2 Carboxamide spirolactam CGRP receptor antagonists MERCK & CO., INC. (US) 2008-06-24 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-20070293470-A1 Carboxamide Spirolactam Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2007-12-20 US disclosed
US-20070293470-A1 Carboxamide Spirolactam Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2007-12-20 US disclosed
US-7288559-B2 Carboxamide spirohydantoin CGRP receptor antagonists MERCK + CO, INC. (US) 2007-10-30 US disclosed
US-7288559-B2 Carboxamide spirohydantoin CGRP receptor antagonists MERCK + CO, INC. (US) 2007-10-30 US disclosed
US-20070111982-A1 Calcitonin Gene-Related Peptide, CGRP; treatment of migraine and cluster headache; 2,5-dioxo-3',4'-dihydro-spiro(imidazolidine-4,2'(1'H)-naphthalene)-6'-carboxamides MERCK SHARP & DOHME LLC 2007-05-17 US disclosed
US-20070111982-A1 Calcitonin Gene-Related Peptide, CGRP; treatment of migraine and cluster headache; 2,5-dioxo-3',4'-dihydro-spiro(imidazolidine-4,2'(1'H)-naphthalene)-6'-carboxamides MERCK SHARP & DOHME LLC 2007-05-17 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 (4 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-20240228476-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE PTPN2, PTPN22, PTPN1 DYRK1B 222/4885MAOA 1918/4885MKNK1 544/4885
US-20070293470-A1 Carboxamide Spirolactam Cgrp Receptor Antagonists BDKRB1, CALCRL, BDKRB2 DYRK1B 4231/4885MAOA 795/4885MKNK1 2508/4885
US-20070111982-A1 Calcitonin Gene-Related Peptide, CGRP; treatment of migraine and cluster headache; 2,5-dioxo-3',4'-dihydro-spiro(imidazolidine-4,2'(1'H)-naphthalene)-6'-carboxamides CALCA, CALCRL, CALCB DYRK1B 4581/4885MAOA 1467/4885MKNK1 2987/4885
US-20250145642-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE TARDBP, TDP2, PSEN2 DYRK1B 1877/4885MAOA 180/4885MKNK1 1647/4885

“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.