SCHEMBL610225

SCHEMBL610225

Nc1ccc2nc(N)ncc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.57
PLAU P00749 1/20 0.52
LCK P06239 3/20 0.51
KDR P35968 2/20 0.51
JAK3 P52333 1/20 0.51
MAPK14 Q16539 1/20 0.51
DYRK1A Q13627 2/20 0.50
CSNK1D P48730 1/20 0.50
CSNK1E P49674 1/20 0.50
CLK1 P49759 1/20 0.50
KDM4E B2RXH2 4/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
CASP6 P55212 1/20 0.48
TP53 P04637 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48

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
SCHEMBL30912753 1.00 EGFR (0.57) EGFRPLAULCKKDRJAK3
Benzene SCHEMBL28800797 0.96 EGFR (0.53) EGFRPLAULCKKDRJAK3
SCHEMBL5494272 0.84 LCK (0.58) EGFRLCKKDRJAK3MAPK14
SCHEMBL24150165 0.83 HTT (0.58) EGFRPLAULCKKDRJAK3
SCHEMBL5488838 0.80 MAP4K4 (0.61) LCKKDRJAK3MAPK14KDM4E
SCHEMBL2130969 0.79 PIK3CG (0.53) LCKKDRJAK3MAPK14DYRK1A
SCHEMBL3481303 0.79 KDM4E (0.55) EGFRPLAULCKKDRJAK3
SCHEMBL2632884 0.79 LCK (0.57) LCKKDRJAK3MAPK14DYRK1A
SCHEMBL15679285 0.79 LCK (0.49) EGFRLCKKDRJAK3MAPK14
SCHEMBL31155594 0.79 KDM4E (0.55) EGFRPLAULCKKDRJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118142359-A Anti-pollution and oxidation-resistant reverse osmosis membrane with low-surface-energy coating and preparation method thereof 万华化学集团股份有限公司 2024-06-07 CN claimed
CN-118142359-A Anti-pollution and oxidation-resistant reverse osmosis membrane with low-surface-energy coating and preparation method thereof 万华化学集团股份有限公司 2024-06-07 CN disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-20120040904-A1 Boronate Medicaments for Preventing Thrombosis During Surgery Trigen Holdings AG (GB) 2012-02-16 US disclosed
US-20100113393-A1 Boronic Acid Salts PAION DEUTSCHLAND GMBH (DE) 2010-05-06 US disclosed
US-20100036159-A1 Peptide boronic acid inhibitors PAION DEUTSCHLAND GMBH (DE) 2010-02-11 US disclosed
US-20080287370-A1 Boronic Acid Salts Useful in Parenteral Formulations PAION DEUTSCHLAND GMBH (DE) 2008-11-20 US disclosed
US-20080234228-A1 Peptide boronic acid drug; thrombosis therapy; anticoagulants PAION DEUTSCHLAND GMBH (DE) 2008-09-25 US disclosed
US-20080166396-A1 Boronate Medicaments Suitable for Short Duration Anticoagulation TRIGEN HOLDINGS AG CLAREVILLE HOUSE (GB) 2008-07-10 US disclosed
US-20050176651-A1 For inhibiting thrombin in the prophylaxis or therapy of disease; tripeptidie boronic acid is reacted with strong alkali or alklaline metal base to form metal salt in presence of acetonitrile, tetrahydrofuran or an alcohol solvent TRIGEN LIMITED 2005-08-11 US disclosed
EP-1561466-A2 Boronic acid salts and use thereof in the preparation of medicaments for treating thrombosis TRIGEN LIMITED (GB) 2005-08-10 EP disclosed
US-20050119226-A1 Methods for synthesizing organoboronic compounds and products thereof TRIGEN LIMITED 2005-06-02 US disclosed
EP-1466916-A1 Peptide boronic acids useful in making salts thereof TRIGEN LIMITED (GB) 2004-10-13 EP disclosed
EP-1466917-A1 Method for making peptide boronic acids and acids obtainable thereby TRIGEN LIMITED (GB) 2004-10-13 EP disclosed
US-20040138175-A1 Boronic acid salts useful in parenteral formulations TRIGEN LIMITED 2004-07-15 US disclosed
EP-1400245-A1 Boronic acid salts useful in parenteral formulations for selective thrombin inhibition TRIGEN LIMITED (GB) 2004-03-24 EP disclosed
WO-2004022072-A1 BORONIC ACID SALTS ANT THEIR USE IN THE TREATMENT OF THROMBOSIS TRIGEN LIMITED (GB) 2004-03-18 WO disclosed
WO-2004022070-A1 BORONIC ACID SALTS USEFUL IN PARENTERAL FORMULATIONS FOR SELECTIVE THROMBIN INHIBITION TRIGEN LIMITED (GB) 2004-03-18 WO disclosed
EP-1396270-A1 Boronic acid salts and use thereof in the preparation of medicaments for treating thrombosis TRIGEN LIMITED (GB) 2004-03-10 EP 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 (9 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-20120040904-A1 Boronate Medicaments for Preventing Thrombosis During Surgery F9, FGB, TFPI EGFR 1850/4885PLAU 740/4885LCK 2282/4885
US-20100113393-A1 Boronic Acid Salts GCG, GRPR, BPGM EGFR 235/4885PLAU 1754/4885LCK 3858/4885
US-20080287370-A1 Boronic Acid Salts Useful in Parenteral Formulations HBZ, BPGM, GCG EGFR 1117/4885PLAU 2341/4885LCK 3778/4885
US-20040138175-A1 Boronic acid salts useful in parenteral formulations HBZ, BPGM, GCG EGFR 1120/4885PLAU 2375/4885LCK 3808/4885
US-20050176651-A1 For inhibiting thrombin in the prophylaxis or therapy of disease; tripeptidie boronic acid is reacted with strong alkali or alklaline metal base to form metal salt in presence of acetonitrile, tetrahydrofuran or an alcohol solvent DPP7, SERPINC1, RNPEP EGFR 1041/4885PLAU 140/4885LCK 3658/4885
US-20050119226-A1 Methods for synthesizing organoboronic compounds and products thereof BCHE, HMBS, APEH EGFR 2246/4885PLAU 389/4885LCK 2204/4885
US-20080166396-A1 Boronate Medicaments Suitable for Short Duration Anticoagulation F2, HABP2, BDKRB1 EGFR 2383/4885PLAU 405/4885LCK 3888/4885
US-20100036159-A1 Peptide boronic acid inhibitors BMX, YBX1, HAX1 EGFR 69/4885PLAU 3737/4885LCK 612/4885
US-20080234228-A1 Peptide boronic acid drug; thrombosis therapy; anticoagulants NPPA, BDKRB2, BCAT2 EGFR 743/4885PLAU 181/4885LCK 3411/4885

“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.