SCHEMBL8512932

SCHEMBL8512932

C[C@H](Nc1ccc2ncc(-c3ccc[nH]c3=O)n2n1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.46
DYRK3 O43781 5/20 0.41
DYRK1A Q13627 5/20 0.41
DYRK2 Q92630 5/20 0.41
DYRK1B Q9Y463 5/20 0.41
CCNA2 P20248 4/20 0.39
CDK2 P24941 4/20 0.39
CDK5 Q00535 4/20 0.39
CDK5R1 Q15078 4/20 0.39
CCNT1 O60563 3/20 0.39
CDK9 P50750 3/20 0.39
ALK Q9UM73 2/20 0.39
NTRK1 P04629 1/20 0.39
MKNK1 Q9BUB5 3/20 0.39
ATP1A1 P05023 3/20 0.38
ATP1B1 P05026 3/20 0.38
ATP1A3 P13637 3/20 0.38
ATP1B2 P14415 3/20 0.38
ATP1A2 P50993 3/20 0.38
ATP1B3 P54709 3/20 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
SCHEMBL9905636 1.00 FYN (0.46) FYNDYRK3DYRK1ADYRK2DYRK1B
SCHEMBL9905682 0.85 ALK (0.44) FYNDYRK3DYRK1ADYRK2DYRK1B
SCHEMBL9902785 0.85 ALK (0.44) FYNDYRK3DYRK1ADYRK2DYRK1B
SCHEMBL9905676 0.84 FYN (0.46) FYNDYRK3DYRK1ADYRK2DYRK1B
SCHEMBL9903920 0.84 FYN (0.46) FYNDYRK3DYRK1ADYRK2DYRK1B
SCHEMBL9905667 0.83 NTRK1 (0.44) FYNDYRK3DYRK1ADYRK2DYRK1B
SCHEMBL9903902 0.83 NTRK1 (0.44) FYNDYRK3DYRK1ADYRK2DYRK1B
SCHEMBL9903343 0.83 NTRK1 (0.44) FYNDYRK3DYRK1ADYRK2DYRK1B
SCHEMBL9902335 0.78 FYN (0.46) FYNDYRK3DYRK1ADYRK2DYRK1B
SCHEMBL3040935 0.77 FYN (0.65) FYNDYRK3DYRK1ADYRK2DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133200-B2 Imidazo[1,2-b]pyridazine and imidazo[4,5-b]pyridine derivatives as JAK inhibitors ALMIRALL, S.A. (ES) 2015-09-15 US claimed
US-20130309200-A1 IMIDAZO [1,2-B] PYRIDAZINE AND IMIDAZO [4,5-B] PYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-11-21 US claimed
EP-2463289-A1 Imidazo[1,2-b]pyridazine derivatives as JAK inhibitors Almirall, S.A. (ES) 2012-06-13 EP claimed
US-9133200-B2 Imidazo[1,2-b]pyridazine and imidazo[4,5-b]pyridine derivatives as JAK inhibitors ALMIRALL, S.A. (ES) 2015-09-15 US disclosed
US-20130309200-A1 IMIDAZO [1,2-B] PYRIDAZINE AND IMIDAZO [4,5-B] PYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-11-21 US disclosed
EP-2643321-A1 IMIDAZO [1,2-B]PYRIDAZINE AND IMIDAZO [4,5-B]PYRIDINE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2013-10-02 EP disclosed
EP-2463289-A1 Imidazo[1,2-b]pyridazine derivatives as JAK inhibitors Almirall, S.A. (ES) 2012-06-13 EP disclosed
WO-2012069202-A1 IMIDAZO [1,2-B] PYRIDAZINE AND IMIDAZO [4,5-B] PYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL,S.A. (ES) 2012-05-31 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-20130309200-A1 IMIDAZO [1,2-B] PYRIDAZINE AND IMIDAZO [4,5-B] PYRIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 FYN 409/4885DYRK3 630/4885DYRK1A 595/4885

“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.