SCHEMBL358722

SCHEMBL358722

Cn1cnc2c(N)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
ADA P00813 1/20 0.43
TLR8 Q9NR97 1/20 0.41
DDB1 Q16531 3/20 0.41
CRBN Q96SW2 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CDK1 P06493 1/20 0.37
DYRK1A Q13627 1/20 0.37
HTR3A P46098 1/20 0.36
AKT1 P31749 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
FBP1 P09467 1/20 0.35
CYP3A4 P08684 1/20 0.34
PIK3CA P42336 1/20 0.34

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 SCHEMBL15093741 0.98 DPP4 (0.43) DPP4ADATLR8DDB1CRBN
Hydrochloric Acid SCHEMBL6118670 0.98 DPP4 (0.43) DPP4ADATLR8DDB1CRBN
Trifluoroacetic Acid SCHEMBL15093408 0.84 SYK (0.43) DPP4ADATLR8DDB1CRBN
SCHEMBL128435 0.78 DDB1 (0.42) DPP4TLR8DDB1CRBNKDM4E
SCHEMBL22399895 0.78 DDB1 (0.42) ADATLR8DDB1CRBNKDM4E
SCHEMBL762352 0.77 DDB1 (0.40) DPP4DDB1CRBNKDM4ETSHR
SCHEMBL23679387 0.76 DDB1 (0.44) ADATLR8DDB1CRBNKDM4E
SCHEMBL16782354 0.76 DDB1 (0.41) DPP4DDB1CRBNKDM4ETSHR
SCHEMBL19848258 0.76 DDB1 (0.41) DPP4DDB1CRBNKDM4ETSHR
SCHEMBL3185680 0.76 DDB1 (0.41) DPP4TLR8DDB1CRBNKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024163380-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-08 WO claimed
EP-2802590-B1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-03-01 EP claimed
EP-2802590-A1 THIENOPYRIMIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2014-11-19 EP claimed
WO-2013104575-A1 THIENOPYRIMIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO claimed
US-20130178460-A1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US claimed
US-20260062412-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING MYT1 INHIBITORY ACTIVITY CHUGAI PHARMACEUTICAL CO LTD (JP) 2026-03-05 US disclosed
EP-4647424-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING MYT1 INHIBITORY ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-11-12 EP disclosed
WO-2024181437-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING MYT1 INHIBITORY ACTIVITY 中外製薬株式会社 2024-09-06 WO disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
EP-1506178-A4 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-05-24 EP disclosed
EP-1506178-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
US-20040181064-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 US disclosed
US-20040019063-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-01-29 US disclosed
WO-2003096980-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-27 WO disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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 (7 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-20040019063-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA DPP4 2950/4885ADA 4846/4885TLR8 1752/4885
US-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 DPP4 1652/4885ADA 3234/4885TLR8 4522/4885
US-20130178460-A1 THIENOPYRIMIDINE COMPOUNDS SYK, BTK, LCK DPP4 1277/4885ADA 1314/4885TLR8 166/4885
US-20040181064-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA DPP4 2698/4885ADA 4826/4885TLR8 1880/4885
US-20260062412-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING MYT1 INHIBITORY ACTIVITY MYT1, NTMT1, MYL6 DPP4 1006/4885ADA 4754/4885TLR8 4337/4885
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS DPP4 3089/4885ADA 1144/4885TLR8 2947/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD DPP4 4096/4885ADA 1564/4885TLR8 3213/4885

“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.