SCHEMBL1445253

SCHEMBL1445253

c1coc(-c2ccncn2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
ADORA2B P29275 15/20 0.52
ADORA1 P30542 12/20 0.52
ADORA2A P29274 10/20 0.52
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ADORA3 P0DMS8 3/20 0.49
MAP4K4 O95819 1/20 0.49
FLT3 P36888 1/20 0.49
CSNK1D P48730 1/20 0.49
AURKB Q96GD4 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MAP3K20 Q9NYL2 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
CYP19A1 P11511 1/20 0.45

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
SCHEMBL30463614 1.00 MAPK1 (0.53) MAPK1ADORA2BADORA1ADORA2AKDM4E
SCHEMBL28135936 0.84 ADORA2B (0.53) ADORA2BADORA1ADORA2AKDM4EALDH1A1
SCHEMBL3061780 0.79 ADORA2B (0.54) ADORA2BADORA1ADORA2AKDM4EALDH1A1
SCHEMBL30463555 0.79 ADORA2B (0.46) MAPK1ADORA2BADORA1ADORA2AKDM4E
SCHEMBL337077 0.76
SCHEMBL28758987 0.76 ADORA2B (0.51) MAPK1ADORA2BADORA1ADORA2AKDM4E
SCHEMBL4057562 0.76 ADORA2B (0.61) ADORA2BADORA1ADORA2AADORA3MAP4K4
SCHEMBL3058599 0.76 ADORA2B (0.57) ADORA2BADORA1ADORA2AKDM4EALDH1A1
SCHEMBL3063758 0.76 ADORA2B (0.54) ADORA2BADORA1ADORA2AKDM4EALDH1A1
SCHEMBL29836037 0.75 KDM4E (0.73) MAPK1ADORA2AKDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109400591-B 4- (2-furyl) pyrimidine compound and preparation method and application thereof 西华大学 2022-01-14 CN claimed
CN-109400591-A 4- (2- furyl) pyrimidines and its preparation method and application 西华大学 2019-03-01 CN claimed
EP-2480235-A2 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS University Of Louisville Research Foundation, Inc. (US) 2012-08-01 EP claimed
WO-2011038234-A2 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2011-03-31 WO claimed
EP-3362451-B1 INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2023-04-12 EP disclosed
CN-109400591-B 4- (2-furyl) pyrimidine compound and preparation method and application thereof 西华大学 2022-01-14 CN disclosed
CN-109400591-B 4- (2-furyl) pyrimidine compound and preparation method and application thereof 西华大学 2022-01-14 CN disclosed
CN-109400591-B 4- (2-furyl) pyrimidine compound and preparation method and application thereof 西华大学 2022-01-14 CN disclosed
US-10233173-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators JANSSEN PHARMACEUTICA NV (BE) 2019-03-19 US disclosed
CN-109400591-A 4- (2- furyl) pyrimidines and its preparation method and application 西华大学 2019-03-01 CN disclosed
CN-109400591-A 4- (2- furyl) pyrimidines and its preparation method and application 西华大学 2019-03-01 CN disclosed
CN-109400591-A 4- (2- furyl) pyrimidines and its preparation method and application 西华大学 2019-03-01 CN 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 (1 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-10233173-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators GRIN3A, GRIN3B, GRIN1 MAPK1 1716/4885ADORA2B 577/4885ADORA1 404/4885

“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.