SCHEMBL9903637

SCHEMBL9903637

COc1ncccc1-c1cnc2cc(C)c(N[C@@H](C)c3ccc(F)cn3)nn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.39
NTRK1 P04629 5/20 0.38
AAK1 Q2M2I8 2/20 0.37
JAK2 O60674 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALK Q9UM73 3/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
JAK3 P52333 4/20 0.34
FYN P06241 1/20 0.34
FGFR3 P22607 2/20 0.34
FLT3 P36888 2/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
FGFR1 P11362 1/20 0.34
NR1I2 O75469 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34

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
SCHEMBL9903898 0.90 NTRK1 (0.39) NTRK1JAK2ALKJAK3FYN
SCHEMBL9903277 0.84 DYRK3 (0.42) NTRK1AAK1JAK2ALKFYN
SCHEMBL9902863 0.84 DYRK3 (0.42) NTRK1AAK1JAK2ALKFYN
SCHEMBL8512752 0.81 JAK3 (0.39) NTRK1JAK2ALKJAK3FGFR3
SCHEMBL9903803 0.78 JAK3 (0.38) NTRK1JAK2ALKJAK3FGFR3
SCHEMBL8534984 0.75 ALK (0.45) NTRK1JAK2ALKFYNFLT3
SCHEMBL8511713 0.73 AAK1 (0.41) NTRK1AAK1NPC1RAB9APDE1A
SCHEMBL9902738 0.73 AAK1 (0.45) NTRK1AAK1ALKFYNCDK2
SCHEMBL15389466 0.73 AAK1 (0.45) NTRK1AAK1ALKFYNCDK2
SCHEMBL9902779 0.72 ALK (0.43) NTRK1JAK2ALKFYNCDK2

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 3 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-2463289-A1 Imidazo[1,2-b]pyridazine derivatives as JAK inhibitors Almirall, S.A. (ES) 2012-06-13 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-20130309200-A1 IMIDAZO [1,2-B] PYRIDAZINE AND IMIDAZO [4,5-B] PYRIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 SOS1 1012/4885NTRK1 2216/4885AAK1 249/4885

“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.