SCHEMBL827764

SCHEMBL827764

Cc1cc(-c2nc(Nc3ccc4c(c3)OC(F)(F)O4)nn2CC(=O)NCC2CC2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPK1 P28482 5/20 0.38
▸ ULK1 O75385 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAP3K14 Q99558 1/20 0.35
▸ KIT P10721 4/20 0.34
▸ BRAF P15056 4/20 0.34

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
SCHEMBL827578 0.90 CYP1A2 (0.41) CYP1A2RECQLSMN1; SMN2MAPK1ADORA3
SCHEMBL827708 0.86 CYP1A2 (0.42) CYP1A2RECQLSMN1; SMN2ADORA3ADORA2A
SCHEMBL827495 0.83 CYP1A2 (0.43) CYP1A2ADORA3ADORA2AADORA2BADORA1
SCHEMBL827698 0.82 CYP1A2 (0.41) CYP1A2RECQLSMN1; SMN2MAPK1ADORA3
SCHEMBL2343141 0.81 ADORA3 (0.41) CYP1A2RECQLSMN1; SMN2MAPK1ULK1
SCHEMBL827982 0.79 CYP1A2 (0.39) CYP1A2ADORA3ADORA2AADORA2BADORA1
SCHEMBL2343983 0.78 ADORA3 (0.38) CYP1A2RECQLSMN1; SMN2MAPK1ADORA3
SCHEMBL10010643 0.76 MAPK1 (0.40) CYP1A2RECQLSMN1; SMN2MAPK1ADORA3
SCHEMBL827727 0.75 CYP1A2 (0.42) CYP1A2SMN1; SMN2MAPK1ADORA3ADORA2A
SCHEMBL12450325 0.74 CYP1A2 (0.42) CYP1A2RECQLSMN1; SMN2ADORA3ADORA2A

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 14 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 claimed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 — — US claimed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 — — US claimed
EP-2010516-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-07 — — EP claimed
WO-2007118903-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 — — WO claimed
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-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
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 — — US disclosed
EP-2010516-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-07 — — EP disclosed
WO-2007118903-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 — — 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 CYP1A2 438/4885RECQL 2748/4885SMN1; SMN2 3305/4885

“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.

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