SCHEMBL3782940

SCHEMBL3782940

COC(=O)Cc1nc(Nc2cccc(C(F)(F)F)c2F)nn1-c1cc(C)nc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 1/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ P2RX3 P56373 1/20 0.37
▸ CD38 P28907 2/20 0.37
▸ LCK P06239 3/20 0.36
▸ MAPK14 Q16539 3/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KDR P35968 2/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ TEK Q02763 1/20 0.35

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
SCHEMBL3781265 0.86 EPHX2 (0.41) ULK1KMT2ALMNATP53MAPK1
SCHEMBL3428599 0.66 LMNA (0.30) LMNATP53
SCHEMBL31645683 0.65 P2RX7 (0.47) CD38EPHX2P2RX7PTGS2
SCHEMBL27806964 0.64 ULK1 (0.39) ULK1KMT2ALMNATP53MAPK1
SCHEMBL1506212 0.61 RIPK1 (0.43) MAPK1P2RX7
SCHEMBL11476667 0.60 PDK2 (0.46) KMT2ALMNATP53SMN1; SMN2ALDH1A1
SCHEMBL1847415 0.60 EPHX2 (0.58) KMT2ASMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL8914214 0.60 SMN1; SMN2 (0.51) KMT2ALMNASMN1; SMN2TSHRCD38
SCHEMBL15606532 0.60 ULK1 (0.44) ULK1KMT2ALMNAALDH1A1P2RX3
SCHEMBL3410830 0.59 ALDH1A1 (0.56) LMNASMN1; SMN2NPSR1ALDH1A1EPHX2

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 7 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
EP-2257535-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-06 — — EP 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
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 ULK1 2017/4885KMT2A 1438/4885LMNA 4657/4885

“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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