SCHEMBL2033888

SCHEMBL2033888

COCCNc1cc(N[C@@H]2CCCN(C(=O)CC#N)C2)nc(-c2cnc3ccc(F)cn23)n1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.52
JAK2 O60674 17/20 0.52
JAK1 P23458 16/20 0.52
FLT3 P36888 1/20 0.45

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
SCHEMBL2033889 1.00 JAK3 (0.52) JAK3JAK2JAK1FLT3
SCHEMBL2037016 0.90 JAK3 (0.64) JAK3JAK2JAK1FLT3
SCHEMBL2037018 0.90 JAK3 (0.64) JAK3JAK2JAK1FLT3
SCHEMBL2041813 0.90 JAK2 (0.41) JAK3JAK2JAK1
SCHEMBL12643723 0.90 JAK3 (0.44) JAK3JAK2JAK1FLT3
SCHEMBL2035052 0.89 JAK3 (0.61) JAK3JAK2JAK1FLT3
SCHEMBL2035051 0.89 JAK3 (0.61) JAK3JAK2JAK1FLT3
SCHEMBL2033609 0.87 FLT3 (0.43) JAK3JAK2JAK1FLT3
SCHEMBL2033606 0.87 FLT3 (0.43) JAK3JAK2JAK1FLT3
SCHEMBL15194237 0.87 USP30 (0.41) JAK3JAK2JAK1

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-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
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

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 JAK3 3/4885JAK2 2/4885JAK1 1/4885

“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.