Sugi Predict

Sugi Predict / Compounds / SCHEMBL5100235

SCHEMBL5100235

SCHEMBL5100235

Cn1cnc2c(Cl)nc([N+](=O)[O-])nc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ CDK1 P06493 4/20 0.44
▸ YTHDC1 Q96MU7 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ NLRP1 Q9C000 1/20 0.37
▸ BLM P54132 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL764036 0.75 CDK1 (0.59) CDK1YTHDC1HSP90AA1HSP90AB1
SCHEMBL183035 0.74 CDK1 (0.68) CDK1YTHDC1ALDH1A1LMNAMAPT
SCHEMBL29426225 0.74 CDK1 (0.68) CDK1YTHDC1ALDH1A1LMNAMAPT
SCHEMBL3002833 0.74 ALDH1A1 (0.34) HSP90AA1HSP90AB1ALDH1A1LMNAMAPT
SCHEMBL7289687 0.73 CDK1 (0.51) KDM4ECDK1YTHDC1ALDH1A1GAA
SCHEMBL5467588 0.72 SLC29A1 (0.53) YTHDC1HSP90AA1HSP90AB1KMT2A
SCHEMBL3549353 0.72 KDM4E (0.46) KDM4ECDK1YTHDC1HSP90AA1HSP90AB1
SCHEMBL380974 0.71 CDK1 (0.50) CDK1YTHDC1HSP90AA1HSP90AB1
SCHEMBL4378141 0.71 CDK1 (0.50) CDK1YTHDC1
SCHEMBL30173097 0.71 CDK1 (0.50) CDK1YTHDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371737-B2 2-substituted-6-trifluoromethyl purine derivatives with adenosine-A3 antagonistic activity SOLVAY PHARMACEUTICALS, B.V. (NL) 2008-05-13 — — US disclosed
US-7371737-B2 2-substituted-6-trifluoromethyl purine derivatives with adenosine-A3 antagonistic activity SOLVAY PHARMACEUTICALS, B.V. (NL) 2008-05-13 — — US disclosed
US-7371737-B2 2-substituted-6-trifluoromethyl purine derivatives with adenosine-A3 antagonistic activity SOLVAY PHARMACEUTICALS, B.V. (NL) 2008-05-13 — — US disclosed
EP-1797092-A1 2-SUBSTITUTED-6-TRIFLUOROMETHYL PURINE DERIVATIVES WITH ADENOSINE-A3 ANTAGONISTIC ACTIVITY Solvay Pharmaceuticals B.V. (NL) 2007-06-20 — — EP disclosed
WO-2006027365-A1 2-SUBSTITUTED-6-TRIFLUOROMETHYL PURINE DERIVATIVES WITH ADENOSINE-A3 ANTAGONISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. (NL) 2006-03-16 — — WO disclosed
US-20060052331-A1 2-Substituted-6-trifluoromethyl purine derivatives with adenosine-A3 antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2006-03-09 — — 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 (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-20060052331-A1 2-Substituted-6-trifluoromethyl purine derivatives with adenosine-A3 antagonistic activity ADORA3, ADORA2A, ADORA2B KDM4E 3846/4885CDK1 1519/4885YTHDC1 880/4885

“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.