SCHEMBL2641680

SCHEMBL2641680

CN1CCN(c2cccc(N(c3nc4c(-c5ccccc5S(C)(=O)=O)cccn4n3)N(c3cccc(N4CCN(C)CC4)c3)c3nc4c(-c5ccccc5S(C)(=O)=O)cccn4n3)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.66
JAK3 P52333 18/20 0.66
PTK2 Q05397 18/20 0.66
JAK1 P23458 2/20 0.51
ABCB1 P08183 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR7 P34969 2/20 0.48
DRD3 P35462 2/20 0.48
HTR6 P50406 2/20 0.48

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
SCHEMBL2641644 0.86 JAK2 (0.68) JAK2JAK3PTK2JAK1ABCB1
SCHEMBL3804065 0.85 JAK2 (0.67) JAK2JAK3PTK2JAK1ABCB1
SCHEMBL2641286 0.81 JAK2 (0.69) JAK2JAK3PTK2JAK1ABCB1
SCHEMBL3802997 0.80 JAK2 (0.69) JAK2JAK3PTK2JAK1ABCB1
SCHEMBL2640506 0.80 JAK2 (1.00) JAK2JAK3PTK2JAK1ABCB1
SCHEMBL3803985 0.79 JAK2 (0.67) JAK2JAK3PTK2JAK1ABCB1
SCHEMBL2641664 0.78 JAK2 (0.70) JAK2JAK3PTK2JAK1ABCB1
SCHEMBL3807252 0.78 JAK3 (0.68) JAK2JAK3PTK2JAK1ABCB1
SCHEMBL3802154 0.77 JAK2 (0.68) JAK2JAK3PTK2JAK1ABCB1
SCHEMBL3814223 0.76 JAK2 (0.62) JAK2JAK3PTK2JAK1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633173-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC (US) 2014-01-21 US disclosed
US-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CEPHALON, INC. 2013-11-07 US disclosed
US-8501936-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC. (US) 2013-08-06 US disclosed
EP-2438066-A2 PREPARATION AND USES OF 1,2,4-TRIAZOLO [1,5a]PYRIDINE DERIVATIVES Cephalon, Inc. (US) 2012-04-11 EP disclosed
US-20100311693-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CEPHALON, INC. (US) 2010-12-09 US disclosed
WO-2010141796-A2 PREPARATION AND USES OF 1,2,4-TRIAZOLO [1,5a] PYRIDINE DERIVATIVES CEPHALON, INC. (US) 2010-12-09 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 (2 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-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885PTK2 451/4885
US-20100311693-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CCNA1, CCNY, RB1 JAK2 31/4885JAK3 175/4885PTK2 1114/4885

“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.