SCHEMBL3864459

SCHEMBL3864459

CN1CCCC(COc2ccc3ncc(-c4ccsc4)n3n2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.48
PIM1 P11309 1/20 0.42
DYRK3 O43781 3/20 0.42
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
DYRK1A Q13627 3/20 0.42
DYRK2 Q92630 3/20 0.42
DYRK1B Q9Y463 3/20 0.42
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
MKNK1 Q9BUB5 5/20 0.40
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
ATM Q13315 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
SCHEMBL13867641 0.87 FYN (0.49) FYNPIM1DYRK3CCNA2CDK2
SCHEMBL3865957 0.87 PIM1 (0.48) FYNPIM1DYRK3CCNA2CDK2
SCHEMBL13867640 0.86 FYN (0.52) FYNPIM1DYRK3CCNA2CDK2
SCHEMBL3865853 0.86 DYRK3 (0.44) FYNPIM1DYRK3CCNA2CDK2
SCHEMBL3869114 0.85 MKNK1 (0.47) FYNPIM1DYRK3CCNA2CDK2
SCHEMBL3873981 0.85 PIM1 (0.43) FYNPIM1DYRK3CCNA2CDK2
SCHEMBL3870831 0.85 FYN (0.47) FYNPIM1DYRK3CCNA2CDK2
SCHEMBL3866136 0.85 FYN (0.47) FYNPIM1DYRK3CCNA2CDK2
SCHEMBL3865835 0.84 SRC (0.47) FYNPIM1DYRK3CCNA2CDK2
SCHEMBL3864372 0.83 DYRK3 (0.42) FYNPIM1DYRK3CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-15 US claimed
US-8653076-B2 Oxo-substituted imidazo[1,2B]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US claimed
US-20090093475-A1 Oxo-substituted imidazo[1,2b]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-04-09 US claimed
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-15 US disclosed
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-15 US disclosed
US-8653076-B2 Oxo-substituted imidazo[1,2B]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US disclosed
US-20090093475-A1 Oxo-substituted imidazo[1,2b]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-04-09 US 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-20090093475-A1 Oxo-substituted imidazo[1,2b]pyridazines, their preparation and use as pharmaceuticals CDK2, CDK1, MAP4K2 FYN 363/4885PIM1 712/4885DYRK3 491/4885
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CDK2, CDK1, MAP4K2 FYN 363/4885PIM1 712/4885DYRK3 491/4885

“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.