SCHEMBL1999082

SCHEMBL1999082

CN(Cc1ccccc1)c1ccnc(-c2cnc3ccc(C#N)cn23)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.55
NTRK3 Q16288 2/20 0.55
NTRK2 Q16620 2/20 0.55
EIF2AK4 Q9P2K8 3/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
JAK2 O60674 8/20 0.40
JAK3 P52333 7/20 0.40
CTSK P43235 1/20 0.40
FLT3 P36888 2/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
IRAK1 P51617 1/20 0.38
JAK1 P23458 3/20 0.38
KIT P10721 2/20 0.38

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
SCHEMBL12616691 0.90 NTRK1 (0.46) NTRK1NTRK3NTRK2EIF2AK4CYP1A2
SCHEMBL2039268 0.83 NTRK1 (0.42) NTRK1NTRK3NTRK2EIF2AK4KIT
SCHEMBL2040961 0.81 NTRK1 (0.38) NTRK1NTRK3NTRK2EIF2AK4CYP1A2
SCHEMBL2000446 0.78 KIT (0.60) NTRK1NTRK3NTRK2EIF2AK4CYP1A2
SCHEMBL1994074 0.74 EIF2AK4 (0.49) EIF2AK4CYP3A4JAK2JAK3FLT3
SCHEMBL21194708 0.73 EIF2AK4 (0.48) EIF2AK4JAK2JAK3FLT3IRAK4
SCHEMBL1993988 0.73 EIF2AK4 (0.48) EIF2AK4CYP3A4JAK2JAK3FLT3
SCHEMBL1992453 0.72 IRAK4 (0.51) EIF2AK4JAK2JAK3FLT3IRAK4
SCHEMBL1992451 0.72 IRAK4 (0.51) EIF2AK4JAK2JAK3FLT3IRAK4
SCHEMBL1997445 0.72 EIF2AK4 (0.43) EIF2AK4JAK2JAK3FLT3IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US claimed
EP-2516436-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-10-31 EP claimed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 WO claimed
EP-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 EP claimed
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
EP-2516436-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-10-31 EP disclosed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 WO disclosed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 WO disclosed
EP-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 EP 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-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 NTRK1 2746/4885NTRK3 2092/4885NTRK2 2336/4885

“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.