SCHEMBL827640

SCHEMBL827640

O=C(O)c1ccnc2c1CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.43
KDM4E B2RXH2 5/20 0.42
ASPH Q12797 2/20 0.42
KDM8 Q8N371 2/20 0.42
KDM5A P29375 6/20 0.39
KDM4C Q9H3R0 3/20 0.39
KDM5B Q9UGL1 6/20 0.38
GRM4 Q14833 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
CASP6 P55212 1/20 0.38
KDM4A O75164 1/20 0.38
RAB9A P51151 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
HIF1AN Q9NWT6 1/20 0.38
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL30644704 0.84 KDM4E (0.39) SPRKDM4EGRM4L3MBTL1TDP1
SCHEMBL24469660 0.84 KDM4E (0.39) SPRKDM4EGRM4L3MBTL1TDP1
SCHEMBL30983274 0.76 ACHE (0.44) SPRKDM4EPOLBALDH1A1RAB9A
SCHEMBL21818641 0.76 KDM4E (0.38) KDM4EASPHKDM8KDM5AKDM4C
SCHEMBL31133332 0.76 KDM4E (0.38) KDM4EASPHKDM8KDM5AKDM4C
SCHEMBL8647924 0.76 ACHE (0.48) KDM4EPOLBALDH1A1RAB9AMAPT
SCHEMBL251512 0.75 CYP1A2 (0.57) KDM4EALDH1A1CYP3A4MAPTALOX15
Hydrochloric Acid SCHEMBL21877747 0.75 GRM4 (0.34) SPRGRM4TDP1
SCHEMBL973641 0.73 CYP1A2 (0.55) KDM4EALDH1A1ALOX15TSHR
SCHEMBL21182079 0.73 SMN1; SMN2 (0.39) SPRKDM5AKDM4CKDM5BGRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010516-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2014-07-02 EP disclosed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
WO-2007118903-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 WO disclosed
EP-0540526-A1 QUINUCLIDINE DERIVATIVES. PFIZER (US) 1993-05-12 EP disclosed
WO-1992001688-A1 QUINUCLIDINE DERIVATIVES PFIZER INC. (US) 1992-02-06 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-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 SPR 1270/4885KDM4E 2489/4885ASPH 4043/4885

“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.