SCHEMBL458946

SCHEMBL458946

BrCCn1cnc2c(NCc3ccccc3)ncnc21

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 5/20 0.77
ADORA2A P29274 5/20 0.77
ADORA1 P30542 5/20 0.77
RAB9A P51151 2/20 0.72
KMT2A Q03164 1/20 0.72
CDK1 P06493 4/20 0.68
NPC1 O15118 1/20 0.68
HPGD P15428 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
CDK2 P24941 2/20 0.60
CCNB2 O95067 1/20 0.60
CCNB1 P14635 1/20 0.60
CCNB3 Q8WWL7 1/20 0.60
ADORA2B P29275 2/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 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
SCHEMBL28068467 0.87 TMIGD3 (0.77) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL27734468 0.87 TMIGD3 (1.00) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL17933852 0.85 ADORA2A (0.74) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL22571186 0.84 TMIGD3 (0.81) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL4382069 0.81 CDK1 (1.00) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL2049171 0.81 RAB9A (1.00) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL27967736 0.81 RAB9A (0.70) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL28740202 0.81 RAB9A (0.78) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL27965570 0.81 CDK1 (0.74) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL457250 0.81 HTT (0.67) TMIGD3ADORA2AADORA1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613631-B1 USE OF 6-SUBSTITUTED 9-HALOGENALKYL PURINES FOR REGULATION OF GROWTH AND DEVELOPMENT OF WHOLE PLANTS, PLANT CELLS AND PLANT ORGANS; NOVEL 6-SUBSTITUTED 9-HALOGENALKYL PURINES Univerzita Palackého v Olomouci (CZ) 2016-04-13 EP disclosed
US-9220269-B2 Use of 6-substituted 9-halogenalkyl purines for regulation of growth and development of whole plants, plant cells and plant organs; novel 6-substituted 9-halogenalkyl purines UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2015-12-29 US disclosed
US-20130210632-A1 USE OF 6- SUBSTITUTED 9 - HALOGENALKYL PURINES FOR REGULATION OF GROWTH AND DEVELOPMENT OF WHOLE PLANTS, PLANT CELLS AND PLANT ORGANS; NOVEL 6 - SUBSTITUTED 9 - HALOGENALKYL PURINES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2013-08-15 US disclosed
EP-2613631-A1 USE OF 6 - SUBSTITUTED 9 - HALOGENALKYL PURINES FOR REGULATION OF GROWTH AND DEVELOPMENT OF WHOLE PLANTS, PLANT CELLS AND PLANT ORGANS; NOVEL 6 - SUBSTITUTED 9 -HALOGENALKYL PURINES Univerzita Palackého v Olomouci (CZ) 2013-07-17 EP disclosed
WO-2012031574-A1 USE OF 6 - SUBSTITUTED 9 - HALOGENALKYL PURINES FOR REGULATION OF GROWTH AND DEVELOPMENT OF WHOLE PLANTS, PLANT CELLS AND PLANT ORGANS; NOVEL 6 - SUBSTITUTED 9 -HALOGENALKYL PURINES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2012-03-15 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 (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-20130210632-A1 USE OF 6- SUBSTITUTED 9 - HALOGENALKYL PURINES FOR REGULATION OF GROWTH AND DEVELOPMENT OF WHOLE PLANTS, PLANT CELLS AND PLANT ORGANS; NOVEL 6 - SUBSTITUTED 9 - HALOGENALKYL PURINES PURB, METTL3, UMPS TMIGD3 4081/4885ADORA2A 129/4885ADORA1 73/4885

“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.