SCHEMBL3784905

SCHEMBL3784905

CN(C)C(=O)CCc1nc(Nc2ccc(F)c(F)c2)nn1-c1ccc2c(c1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.40
▸ SYK P43405 5/20 0.38
▸ RAB9A P51151 6/20 0.37
▸ NPC1 O15118 5/20 0.37
▸ MAPT P10636 3/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ POLB P06746 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 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
SCHEMBL3777020 0.89 MEN1 (0.43) MAOBSYKRAB9ANPC1MAPT
SCHEMBL3781786 0.89 SYK (0.47) MAOBSYKRAB9ANPC1MAPT
SCHEMBL3770236 0.83 IGF1R (0.39) SYKRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL3782936 0.73 JAK2 (0.38) SYKSMN1; SMN2ALDH1A1
SCHEMBL1506178 0.67 MAPK1 (0.38) RAB9ANPC1SMN1; SMN2
SCHEMBL20242712 0.64 MEN1 (0.44) MAOBSYKMAPTMEN1KMT2A
SCHEMBL828927 0.63 MAPT (0.46) RAB9ANPC1MAPTTP53MEN1
SCHEMBL3773575 0.63 KCNJ6 (0.37) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1167900 0.63 TYK2 (0.48) SYKRAB9ANPC1MAPTTP53
SCHEMBL4042646 0.62 FLT3 (0.52) RAB9ANPC1MAPTTP53MEN1

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
US-8778974-B2 Trisubstituted 1,2,4 triazoles JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 — — US disclosed
US-8778974-B2 Trisubstituted 1,2,4 triazoles JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 — — US disclosed
US-8778974-B2 Trisubstituted 1,2,4 triazoles JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 — — US disclosed
EP-2257535-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-06 — — EP disclosed
US-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — US disclosed
US-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — US disclosed
US-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — US disclosed
WO-2009115547-A1 TRISUBSTITUTED 1, 2, 4 -TRIAZOIIES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-09-24 — — 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-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES CHRNA1, CHRNA5, CHRNE MAOB 874/4885SYK 3235/4885RAB9A 2167/4885

“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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