SCHEMBL3368852

SCHEMBL3368852

COc1ccc(C(=N)N)cc1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.77
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA7 P43166 1/20 0.59
TPMT P51580 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
PRSS2 P07478 3/20 0.57
PRSS3 P35030 3/20 0.57
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
BACE1 P56817 1/20 0.53

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
Hydrochloric Acid SCHEMBL6287246 0.98 PRSS1 (0.77) PRSS1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL20116738 0.88 PRSS1 (0.77) PRSS1TSHRPRSS2PRSS3ALDH1A1
SCHEMBL5326585 0.88 PRSS1 (1.00) PRSS1PLAU
SCHEMBL14599629 0.86 PRSS1 (1.00) PRSS1PLAU
SCHEMBL7330214 0.86 MEN1 (0.61) PRSS1CYP1A2PRSS2PRSS3ALDH1A1
SCHEMBL10558649 0.86 PRSS1 (0.62) PRSS1PRSS2PRSS3PLAU
SCHEMBL28171293 0.86 RECQL (0.64) PRSS1CYP1A2CYP3A4TSHRPRSS2
SCHEMBL27441076 0.86 PRSS1 (0.62) PRSS1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL3368871 0.86 PRSS1 (0.60) PRSS1CYP3A4TSHRPRSS2PRSS3
SCHEMBL14599546 0.85 PRSS1 (0.72) PRSS1CYP2C9CYP2C19CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed
EP-4173485-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-03 EP disclosed
WO-2023023867-A1 COMPOUNDS FOR REDUCING CHOLESTEROL AND TREATING LIVER AND KIDNEY DISEASE MCMASTER UNIVERSITY (CA) 2023-03-02 WO disclosed
EP-1476435-B1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
CN-1324015-C Pyridine and pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 CN disclosed
US-7022718-B2 Pyridine and pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-04-04 US disclosed
US-20050143405-A1 Pyridine and pyrimidine derivatives BOEHRINGER MARKUS (CH) 2005-06-30 US disclosed
CN-1630644-A Novel pyridine and pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2005-06-22 CN disclosed
US-6867205-B2 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-03-15 US disclosed
EP-1476435-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-17 EP disclosed
WO-2003068757-A9 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-10-07 WO disclosed
US-20030216382-A1 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2003-11-20 US disclosed
WO-2003068757-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-21 WO disclosed
US-5190589-A Compounds and process preparing a substituted or an unsubstituted 4(5)-(ω-aminoalkyl)imidazole CEDONA PHARMACEUTICALS B.V. (NL) 1993-03-02 US disclosed
EP-0415948-A1 PROCESS FOR PREPARING A SUBSTITUTED OR AN UNSUBSTITUTED 4(5)-($g(v)-AMINOALKYL)IMIDAZOLE CEDONA PHARMACEUTICALS B.V. (NL) 1991-03-13 EP disclosed
WO-1989010360-A1 PROCESS FOR PREPARING A SUBSTITUTED OR AN UNSUBSTITUTED 4(5)-(omega-AMINOALKYL)IMIDAZOLE CEDONA PHARMACEUTICALS B.V. (NL) 1989-11-02 WO 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 (2 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-20030216382-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, G6PC1 PRSS1 283/4885CYP2C9 546/4885CYP2C19 352/4885
US-20050143405-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, PDXK PRSS1 217/4885CYP2C9 321/4885CYP2C19 177/4885

“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.