SCHEMBL3781786

SCHEMBL3781786

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 6/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAOB P27338 1/20 0.41
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TRPV1 Q8NER1 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ EGFR P00533 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
SCHEMBL3777020 0.90 MEN1 (0.43) SYKMAOBMEN1KMT2APOLB
SCHEMBL3784905 0.89 MAOB (0.40) SYKL3MBTL1MAOBMEN1KMT2A
SCHEMBL3770236 0.70 IGF1R (0.39) SYKNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1514186 0.69 MAOB (0.43) SYKL3MBTL1MAOBMEN1KMT2A
SCHEMBL3773575 0.66 KCNJ6 (0.37) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL20242712 0.65 MEN1 (0.44) SYKMAOBMEN1KMT2AMAPT
SCHEMBL13675931 0.64 RAB9A (0.70) MAOBKMT2APOLBNPC1RAB9A
SCHEMBL654610 0.64 SYK (0.88) SYKEGFR
SCHEMBL656295 0.64 SYK (1.00) SYKEGFR
SCHEMBL1167900 0.64 TYK2 (0.48) SYKNPC1RAB9AMAPTTP53

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 SYK 3235/4885L3MBTL1 4560/4885MAOB 874/4885

“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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