SCHEMBL9902863

SCHEMBL9902863

COc1ncccc1-c1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nn12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 2/20 0.42
CCNT1 O60563 2/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CDK9 P50750 2/20 0.42
CDK5 Q00535 2/20 0.42
DYRK1A Q13627 2/20 0.42
CDK5R1 Q15078 2/20 0.42
DYRK2 Q92630 2/20 0.42
DYRK1B Q9Y463 2/20 0.42
AAK1 Q2M2I8 2/20 0.42
ALK Q9UM73 2/20 0.42
NTRK1 P04629 1/20 0.42
MKNK1 Q9BUB5 4/20 0.41
FYN P06241 11/20 0.40
JAK2 O60674 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
SCHEMBL9903277 1.00 DYRK3 (0.42) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL9902738 0.89 AAK1 (0.45) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL8534984 0.89 ALK (0.45) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL15389466 0.89 AAK1 (0.45) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL9902779 0.85 ALK (0.43) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL9903637 0.84 SOS1 (0.39) CDK2AAK1ALKNTRK1FYN
SCHEMBL9902335 0.83 FYN (0.46) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL9905667 0.80 NTRK1 (0.44) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL9903343 0.80 NTRK1 (0.44) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL9903902 0.80 NTRK1 (0.44) DYRK3CCNT1CCNA2CDK2CDK9

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 DYRK3 630/4885CCNT1 815/4885CCNA2 492/4885

“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.