SCHEMBL526690

SCHEMBL526690

Clc1nn2ccnc2cc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.50
AKT2 P31751 1/20 0.50
PIK3CD O00329 2/20 0.43
KDR P35968 4/20 0.42
MAP4K4 O95819 3/20 0.42
PRKACA P17612 3/20 0.42
CDK8 P49336 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
MAP2K1 Q02750 3/20 0.42
DYRK1B Q9Y463 3/20 0.42
LRRK2 Q5S007 2/20 0.42
CSF1R P07333 2/20 0.42
ACVR1 Q04771 2/20 0.42
ROCK1 Q13464 2/20 0.42
JAK2 O60674 2/20 0.42
RET P07949 2/20 0.42
GSK3A P49840 2/20 0.42
RPS6KA3 P51812 2/20 0.42
LIMK1 P53667 2/20 0.42
ALK Q9UM73 2/20 0.42

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
SCHEMBL15106830 0.77 AKT1 (0.50) AKT1AKT2PIK3CDKDRMAP4K4
SCHEMBL529936 0.75 AKT1 (0.52) AKT1AKT2PIK3CDDYRK1AMAPT
SCHEMBL530189 0.71 CDK2 (0.40) AKT1AKT2KDRKDM4EADRA2A
SCHEMBL135824 0.70 CHRM5 (0.40) AKT1PIK3CDKDRMAP4K4PRKACA
SCHEMBL360789 0.70 DYRK1A (0.77) KDRMAP4K4PRKACACDK8CLK4
SCHEMBL1665644 0.70 APOBEC3A (0.54) AKT1AKT2KDRMAP4K4PRKACA
SCHEMBL14126501 0.69 AKT1 (0.52) AKT1AKT2MAP4K4DYRK1BAURKA
SCHEMBL19322369 0.68 AKT1 (0.50) AKT1AKT2PIK3CDKDRMAP4K4
SCHEMBL2646928 0.68 GABRA1 (0.52) MAP4K4CLK4DYRK1BLRRK2JAK2
SCHEMBL28502974 0.67 PIK3CD (0.39) PIK3CDKDRMAP4K4PRKACACDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987273-B2 Substituted imidazo[1,2-B]pyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987273-B2 Substituted imidazo[1,2-B]pyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987273-B2 Substituted imidazo[1,2-B]pyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
EP-2598505-B1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES BAYER IP GMBH (DE) 2015-03-18 EP disclosed
EP-2598505-B1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES BAYER IP GMBH (DE) 2015-03-18 EP disclosed
US-20130210825-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
US-20130210825-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
US-20130210825-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
EP-2598505-A2 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-06-05 EP disclosed
WO-2012013713-A2 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 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-20130210825-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES NRAS, IDH2, NDUFB1 AKT1 4494/4885AKT2 4136/4885PIK3CD 1958/4885

“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.