SCHEMBL20839258

SCHEMBL20839258

Cc1nc(-c2cncc(Br)c2)ncc1N

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.43
PTK2 Q05397 1/20 0.41
CYP2A6 P11509 2/20 0.40
PDPK1 O15530 1/20 0.37
UHRF1 Q96T88 1/20 0.35
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PGR P06401 1/20 0.32
CYP11B1 P15538 2/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL29856016 1.00 CYP11B2 (0.43) CYP11B2PTK2CYP2A6PDPK1UHRF1
SCHEMBL20849498 0.83 CYP2A6 (0.38) CYP11B2CYP2A6UHRF1RAB9ANPC1
SCHEMBL29856247 0.81 PIK3CA (0.39) CYP11B2CYP11B1
SCHEMBL20839320 0.81 PIK3CA (0.39) CYP11B2CYP11B1
SCHEMBL20839157 0.78 ADK (0.34) UHRF1RAB9ANPC1KDM4EPOLB
SCHEMBL6983354 0.72 PTK2 (0.49) CYP11B2PTK2CYP2A6PDPK1RAB9A
SCHEMBL6409483 0.70 L3MBTL1 (0.50) RAB9ANPC1KMT2AHTTKDM4E
SCHEMBL5799279 0.67 PTK2 (0.52) CYP11B2PTK2CYP2A6RAB9ANPC1
SCHEMBL14392676 0.67 CYP2A6 (0.61) CYP11B2PTK2CYP2A6RAB9AHTT
SCHEMBL4207138 0.67 L3MBTL1 (0.51) CYP11B2PTK2CYP2A6RAB9ANPC1

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-20200267981-A1 Herbicidally Active Pyridyl-/Pyrimidyl-Pyrimidine Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-08-27 US claimed
EP-3684182-A1 HERBICIDALLY ACTIVE PYRIDYL-/PYRIMIDYL-PYRIMIDINE DERIVATIVES Syngenta Participations AG (CH) 2020-07-29 EP claimed
CN-111372455-A Herbicidally active pyridyl-/pyrimidinyl-pyrimidine derivatives 先正达参股股份有限公司 2020-07-03 CN claimed
WO-2019057720-A1 HERBICIDALLY ACTIVE PYRIDYL-/PYRIMIDYL-PYRIMIDINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-03-28 WO claimed
US-11672251-B2 Herbicidally active pyridyl-/pyrimidyl-pyrimidine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2023-06-13 US disclosed
CN-111372455-B Herbicidally active pyridyl-/pyrimidinyl-pyrimidine derivatives 先正达参股股份有限公司 2022-10-11 CN disclosed
US-20200267981-A1 Herbicidally Active Pyridyl-/Pyrimidyl-Pyrimidine Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-08-27 US disclosed
EP-3684182-A1 HERBICIDALLY ACTIVE PYRIDYL-/PYRIMIDYL-PYRIMIDINE DERIVATIVES Syngenta Participations AG (CH) 2020-07-29 EP disclosed
CN-111372455-A Herbicidally active pyridyl-/pyrimidinyl-pyrimidine derivatives 先正达参股股份有限公司 2020-07-03 CN disclosed
WO-2019057720-A1 HERBICIDALLY ACTIVE PYRIDYL-/PYRIMIDYL-PYRIMIDINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-03-28 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 (2 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-20200267981-A1 Herbicidally Active Pyridyl-/Pyrimidyl-Pyrimidine Derivatives PLPBP, PDXK, DPYD CYP11B2 2262/4885PTK2 4099/4885CYP2A6 269/4885
US-11672251-B2 Herbicidally active pyridyl-/pyrimidyl-pyrimidine derivatives PLPBP, PDXK, DPYD CYP11B2 2262/4885PTK2 4099/4885CYP2A6 269/4885

“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.