SCHEMBL530189

SCHEMBL530189

Clc1cc(-c2ccccc2)c2nccn2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.40
CCNE1 P24864 1/20 0.40
SYK P43405 6/20 0.38
CCNA2 P20248 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADORA2A P29274 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
KDR P35968 2/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
PDE10A Q9Y233 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 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
SCHEMBL2588629 0.85 DYRK3 (0.45) CDK2CCNA2KDM4EALDH1A1KDR
SCHEMBL10756085 0.84 KDR (0.34) HPGDADORA2AAKT1AKT2KDR
SCHEMBL14765267 0.81 JAK2 (0.45) KDRCCNB2CDK1CCNB1CCNB3
SCHEMBL17303162 0.77 APOBEC3A (0.48) CDK2CCNE1SYKKDM4EALDH1A1
SCHEMBL2594102 0.75 CYP11B2 (0.52)
SCHEMBL1202802 0.74 CDK2 (0.45) CDK2CCNE1CCNA2KDRIRAK4
SCHEMBL23994765 0.74 ADCY10 (0.38) SYKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1826192 0.73 GRIN2D (0.33) ALDH1A1
SCHEMBL3700079 0.72 AKT1 (0.42) AKT1AKT2
SCHEMBL2591526 0.72 CYP17A1 (0.43) PDE10A

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 5 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
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
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 CDK2 158/4885CCNE1 457/4885SYK 1703/4885

“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.