SCHEMBL3663103

SCHEMBL3663103

CNc1cc(-c2cncc(-c3ccc(CN4CCOCC4)cc3)c2)cc(-c2ccccn2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.51
PRMT6 Q96LA8 1/20 0.46
HRH3 Q9Y5N1 2/20 0.43
DYRK1A Q13627 2/20 0.43
MAPKAPK2 P49137 1/20 0.41
GSK3B P49841 1/20 0.41
SLC2A1 P11166 1/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
LRRK2 Q5S007 1/20 0.40
MAP4K1 Q92918 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CHEK1 O14757 1/20 0.39
ACHE P22303 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 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
SCHEMBL3725907 0.90 TNIK (0.46) TGFBR1DYRK1AGSK3BDRD2DRD4
SCHEMBL2237284 0.89 TGFBR1 (0.47) TGFBR1PRMT6HRH3DYRK1AMAPKAPK2
SCHEMBL3725755 0.89 ABL1 (0.48) TGFBR1DRD2DRD4DRD3LRRK2
SCHEMBL3726796 0.83 ABL1 (0.46) TGFBR1DRD2DRD4DRD3LRRK2
SCHEMBL3722539 0.83 DRD2 (0.41) TGFBR1DYRK1AGSK3BDRD2DRD4
SCHEMBL4181566 0.83 MAPK1 (0.46) DYRK1AGSK3BJAK2JAK1SYK
SCHEMBL3663458 0.81 TGFBR1 (0.52) TGFBR1JAK2JAK1ABL1FLT1
SCHEMBL3715527 0.81 DRD2 (0.40) TGFBR1DYRK1ADRD2DRD4DRD3
SCHEMBL3718893 0.81 DRD2 (0.40) TGFBR1DRD2DRD4DRD3ALDH1A1
SCHEMBL3719893 0.80 GSK3B (0.43) DYRK1AGSK3BDRD2DRD4DRD3

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
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK TGFBR1 187/4885PRMT6 983/4885HRH3 453/4885

“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.