SCHEMBL8534984

SCHEMBL8534984

COc1ncc(F)cc1-c1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.45
NTRK1 P04629 3/20 0.45
FYN P06241 11/20 0.42
MKNK1 Q9BUB5 4/20 0.42
JAK2 O60674 2/20 0.41
ERN1 O75460 1/20 0.41
DYRK3 O43781 1/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDK5R1 Q15078 1/20 0.39
DYRK2 Q92630 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
ABL1 P00519 1/20 0.38
FGR P09769 1/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 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
SCHEMBL9902779 0.93 ALK (0.43) ALKNTRK1FYNMKNK1JAK2
SCHEMBL9902863 0.89 DYRK3 (0.42) ALKNTRK1FYNMKNK1JAK2
SCHEMBL9903277 0.89 DYRK3 (0.42) ALKNTRK1FYNMKNK1JAK2
SCHEMBL15389529 0.88 ALK (0.44) ALKNTRK1FYNMKNK1ERN1
SCHEMBL9903898 0.85 NTRK1 (0.39) ALKNTRK1FYNJAK2CDK2
SCHEMBL9903474 0.81 NTRK1 (0.46) ALKNTRK1FYNMKNK1JAK2
SCHEMBL9903343 0.78 NTRK1 (0.44) ALKNTRK1FYNMKNK1JAK2
SCHEMBL9905667 0.78 NTRK1 (0.44) ALKNTRK1FYNMKNK1JAK2
SCHEMBL9903902 0.78 NTRK1 (0.44) ALKNTRK1FYNMKNK1JAK2
SCHEMBL9902768 0.78 DYRK1A (0.50) FYNMKNK1DYRK3CCNT1CCNA2

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
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 ALK 282/4885NTRK1 2216/4885FYN 409/4885

“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.