SCHEMBL3030258

SCHEMBL3030258

[NH][C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
ABL1 P00519 1/20 0.59
LMNA P02545 1/20 0.59
CYP3A4 P08684 2/20 0.54
GPR119 Q8TDV5 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HRH3 Q9Y5N1 2/20 0.51
MAPT P10636 3/20 0.50
GAA P10253 1/20 0.50
TRPV1 Q8NER1 3/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
DPP4 P27487 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
MEN1 O00255 1/20 0.49
HMOX1 P09601 1/20 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
SCHEMBL6575058 0.84 KDM4E (0.61) KDM4EABL1LMNACYP3A4GPR119
SCHEMBL785166 0.84 KDM4E (0.61) KDM4EABL1LMNACYP3A4GPR119
SCHEMBL1349588 0.84 KDM4E (0.61) KDM4EABL1LMNACYP3A4GPR119
SCHEMBL7250561 0.84 KDM4E (0.58) KDM4EABL1LMNACYP3A4GPR119
SCHEMBL10107061 0.84 KDM4E (0.61) KDM4EABL1LMNACYP3A4GPR119
SCHEMBL3030259 0.84 KDM4E (0.61) KDM4EABL1LMNACYP3A4GPR119
Hydrochloric Acid SCHEMBL23167687 0.82 KDM4E (0.60) KDM4EABL1LMNACYP3A4GPR119
Hydrochloric Acid SCHEMBL23167691 0.82 KDM4E (0.60) KDM4EABL1LMNACYP3A4GPR119
SCHEMBL384719 0.80 KDM4E (0.57) KDM4EABL1LMNACYP3A4GPR119
SCHEMBL13211953 0.80 TRPV1 (0.56) KDM4EABL1LMNAMAPTTRPV1

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-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands NOVARTIS AG (CH) 2010-08-05 US claimed
EP-2205601-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS Novartis Ag (CH) 2010-07-14 EP claimed
WO-2009050199-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS NOVARTIS AG (CH) 2009-04-23 WO claimed
US-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands NOVARTIS AG (CH) 2010-08-05 US disclosed
EP-2205601-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS Novartis Ag (CH) 2010-07-14 EP disclosed
WO-2009050199-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS NOVARTIS AG (CH) 2009-04-23 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-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands ADORA2A, ADORA1, ADORA3 KDM4E 3737/4885ABL1 1123/4885LMNA 2449/4885

“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.