SCHEMBL457250

SCHEMBL457250

BrCCn1cnc2c(NCc3ccco3)ncnc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.67
CCNB2 O95067 2/20 0.64
CDK1 P06493 2/20 0.64
CCNB1 P14635 2/20 0.64
CCNB3 Q8WWL7 2/20 0.64
SMN1; SMN2 Q16637 5/20 0.53
LMNA P02545 4/20 0.53
TP53 P04637 3/20 0.53
PAX8 Q06710 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
SLC29A1 Q99808 1/20 0.53
MITF O75030 1/20 0.53
ADORA2A P29274 2/20 0.52
ADORA1 P30542 2/20 0.52
TMIGD3 P0DMS9 1/20 0.52
RAB9A P51151 4/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 4/20 0.48
HPGD P15428 3/20 0.48

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
SCHEMBL15167412 0.92 HTT (0.63) HTTCCNB2CDK1CCNB1CCNB3
SCHEMBL457947 0.88 HTT (0.70) HTTCCNB2CDK1CCNB1CCNB3
SCHEMBL20119633 0.88 HTT (0.67) HTTCCNB2CDK1CCNB1CCNB3
SCHEMBL15167431 0.86 HTT (0.67) HTTCCNB2CDK1CCNB1CCNB3
SCHEMBL20097160 0.86 CCNB2 (0.69) HTTCCNB2CDK1CCNB1CCNB3
SCHEMBL31711723 0.84 HTT (0.61) HTTCCNB2CDK1CCNB1CCNB3
SCHEMBL31711717 0.84 HTT (0.61) HTTCCNB2CDK1CCNB1CCNB3
SCHEMBL20119629 0.83 CDK1 (0.72) HTTCCNB2CDK1CCNB1CCNB3
SCHEMBL31711716 0.83 HTT (0.60) HTTCCNB2CDK1CCNB1CCNB3
SCHEMBL31711719 0.83 HTT (0.60) HTTCCNB2CDK1CCNB1CCNB3

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 HTT 3228/4885CCNB2 1143/4885CDK1 1502/4885

“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.