SCHEMBL2036077

SCHEMBL2036077

O=C(O)N1CCCC(Nc2nc(-c3cnc4ccc(F)cn34)nc(N3CCOCC3)c2F)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.49
JAK1 P23458 10/20 0.49
JAK3 P52333 10/20 0.49
EIF2AK4 Q9P2K8 3/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
BTK Q06187 3/20 0.38
EGFR P00533 2/20 0.38
ADORA2A P29274 2/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
BMX P51813 1/20 0.37

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
SCHEMBL16824724 0.91 JAK2 (0.44) JAK2JAK1JAK3EIF2AK4ADORA2A
SCHEMBL16824701 0.89 JAK2 (0.53) JAK2JAK1JAK3EIF2AK4
SCHEMBL2038350 0.89 JAK2 (0.48) JAK2JAK1JAK3EIF2AK4IRAK4
SCHEMBL2038353 0.89 JAK2 (0.48) JAK2JAK1JAK3EIF2AK4IRAK4
SCHEMBL2034661 0.89 JAK2 (0.53) JAK2JAK1JAK3
SCHEMBL2035018 0.89 JAK2 (0.47) JAK2JAK1JAK3EIF2AK4BTK
SCHEMBL2035016 0.89 JAK2 (0.47) JAK2JAK1JAK3EIF2AK4BTK
SCHEMBL2034659 0.89 JAK2 (0.53) JAK2JAK1JAK3
SCHEMBL2033334 0.85 FLT3 (0.41) JAK2JAK1JAK3EIF2AK4EGFR
SCHEMBL16824789 0.85 FLT3 (0.41) JAK2JAK1JAK3EIF2AK4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015091531-A1 IMIDAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-25 WO 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
US-20110311583-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2011-12-22 US 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 (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-20110311583-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS SGMS1, SGMS2, PHOSPHO1 JAK2 2232/4885JAK1 3572/4885JAK3 3498/4885
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885JAK3 3/4885

“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.