SCHEMBL354590

SCHEMBL354590

CNC(=O)c1cncn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.42
CYP17A1 P05093 2/20 0.42
CYP3A4 P08684 2/20 0.42
BAZ2B Q9UIF8 1/20 0.38
TNKS O95271 1/20 0.36
CLK1 P49759 1/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
RBP4 P02753 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
BRD4 O60885 1/20 0.34
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
IDO1 P14902 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TBXAS1 P24557 1/20 0.33

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
SCHEMBL1130982 0.82 PREP (0.44) PREPCYP3A4TNKSCCNE1CDK2
SCHEMBL6010185 0.79 IDO1 (0.41) PREPCYP3A4TNKSRBP4IDO1
SCHEMBL12234460 0.77
SCHEMBL890196 0.77
SCHEMBL301936 0.77
SCHEMBL25136561 0.76 IDO1 (0.33) PREPCYP17A1CYP3A4IDO1
SCHEMBL1751342 0.76 MAPK1 (0.49) PREPALDH1A1CYP11B1CYP11B2
SCHEMBL10897204 0.75 PREP (0.45) PREPTNKSTRPA1
SCHEMBL10750976 0.75 PREP (0.40) PREPTNKSCCNE1CDK2RBP4
SCHEMBL10824813 0.75 RAB9A (0.54) CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109698-A1 MALT-1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2026-04-23 US disclosed
US-20250051327-A1 MALT-1 MODULATORS RECURSION PHARMACEUTICALS, INC. 2025-02-13 US disclosed
EP-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 EP disclosed
EP-4183783-A1 IMMUNOMODULATOR Hitgen Inc. (CN) 2023-05-24 EP disclosed
WO-2018122419-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2018-07-05 WO disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
US-20100119510-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-13 US disclosed
US-7531535-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
US-20080090807-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 3-(4-methoxy-phenyl)-5-[4-(2-oxo-2H-pyridin-1-yl)-phenyl]-3,5,6,7-tetrahydro-[1,2,3]triazolo4,5-c]pyridin-4-one; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-17 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 (5 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA PREP 846/4885CYP17A1 4756/4885CYP3A4 1232/4885
US-20100119510-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 PREP 18/4885CYP17A1 604/4885CYP3A4 453/4885
US-20250051327-A1 MALT-1 MODULATORS MALT1, BCL6, BCL9 PREP 2228/4885CYP17A1 1949/4885CYP3A4 2437/4885
US-20260109698-A1 MALT-1 MODULATORS MALT1, BCL6, BCL3 PREP 3532/4885CYP17A1 2701/4885CYP3A4 2070/4885
US-20080090807-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 3-(4-methoxy-phenyl)-5-[4-(2-oxo-2H-pyridin-1-yl)-phenyl]-3,5,6,7-tetrahydro-[1,2,3]triazolo4,5-c]pyridin-4-one; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis PLAT, TFPI, SPINT2 PREP 49/4885CYP17A1 1234/4885CYP3A4 598/4885

“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.