SCHEMBL6188610

SCHEMBL6188610

CC1(C)COC(c2ccc(O)nc2)=N1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HRH3 Q9Y5N1 4/20 0.46
CYP2D6 P10635 1/20 0.46
IL2 P60568 1/20 0.37
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.33
ABL1 P00519 1/20 0.33
EED O75530 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33

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
SCHEMBL2090711 0.81 KDM4E (0.46) LMNAHTTMAPTKDM4EHRH3
SCHEMBL471858 0.80 KDM4E (0.60) LMNAHTTMAPTKDM4EHRH3
SCHEMBL2088974 0.80 KDM4E (0.51) LMNAHTTMAPTKDM4EHRH3
Hydrochloric Acid SCHEMBL5740210 0.79 KDM4E (0.45) LMNAHTTMAPTKDM4EHRH3
SCHEMBL20410849 0.79 KDM4E (0.49) LMNAHTTMAPTKDM4EHRH3
SCHEMBL6189074 0.79 HRH3 (0.48) LMNAHTTMAPTKDM4EHRH3
SCHEMBL6205697 0.78 HRH3 (0.44) LMNAHTTMAPTKDM4EHRH3
SCHEMBL6050408 0.78 HRH3 (0.44) LMNAHTTMAPTKDM4EHRH3
SCHEMBL20410969 0.78 KDM4E (0.51) LMNAHTTMAPTKDM4EHRH3
SCHEMBL20409590 0.78 KDM4E (0.53) LMNAHTTMAPTKDM4EHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572655-A2 NOVEL ARYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2005-09-14 EP disclosed
CN-1630637-A Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-06-22 CN disclosed
US-20040242871-A1 Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2004-12-02 US disclosed
WO-2002090332-A2 NOVEL AEYLHETEROALKYLAMINΕ DERIVATIVES ASTRAZENECA AB (SE) 2002-11-14 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-20040242871-A1 Novel arylheteroalkylamine derivatives CYP1A1, NOS3, NOS1 LMNA 3940/4885HTT 2425/4885MAPT 4105/4885

“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.