SCHEMBL529936

SCHEMBL529936

Cc1cn2nc(Cl)c(-c3ccccc3)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.52
AKT2 P31751 1/20 0.52
DYRK1A Q13627 1/20 0.43
RAB9A P51151 8/20 0.42
NPC1 O15118 7/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
KDM4E B2RXH2 5/20 0.41
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 4/20 0.39
HSD17B10 Q99714 4/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2964666 0.79 RAB9A (0.48) AKT1AKT2RAB9ANPC1SMN1; SMN2
SCHEMBL477177 0.75 DYRK1A (0.40) AKT1AKT2DYRK1ARAB9ANPC1
SCHEMBL526690 0.75 AKT1 (0.50) AKT1AKT2DYRK1ARAB9ANPC1
SCHEMBL4790043 0.71 RXFP1 (0.46) RAB9ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL24165364 0.70 DYRK1A (0.36) DYRK1ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL12920736 0.70 RAB9A (0.41) AKT1AKT2RAB9ANPC1SMN1; SMN2
SCHEMBL2646928 0.69 GABRA1 (0.52) DYRK1AKDM4EALDH1A1MAPTHPGD
SCHEMBL17640709 0.69 PIK3CD (0.57) AKT1AKT2DYRK1ARAB9ANPC1
SCHEMBL5056983 0.68 RAB9A (0.54) DYRK1ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL235881 0.67 RAB9A (0.48) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1

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
CN-103384670-B Imidazo [1, the 2-b] pyridazine replacing BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-25 CN 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
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
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 4136/4885DYRK1A 2483/4885

“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.