SCHEMBL3725907

SCHEMBL3725907

CNc1cc(-c2cncc(-c3ccc(CN4CCN(C)CC4)cc3)c2)cc(-c2ccccn2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 8/20 0.46
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
CHKA P35790 2/20 0.43
TGFBR1 P36897 3/20 0.43
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
FLT3 P36888 2/20 0.41
MAP3K11 Q16584 2/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
ABL1 P00519 1/20 0.41
INSR P06213 1/20 0.41
CDK2 P24941 1/20 0.41
AXL P30530 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
KIT P10721 1/20 0.40

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
SCHEMBL3719893 0.91 GSK3B (0.43) DRD2DRD4DRD3CHKAGSK3B
SCHEMBL3663103 0.90 TGFBR1 (0.51) DRD2DRD4DRD3TGFBR1GSK3B
SCHEMBL3725755 0.90 ABL1 (0.48) DRD2DRD4DRD3TGFBR1MAP3K11
SCHEMBL3722539 0.89 DRD2 (0.41) TNIKDRD2DRD4DRD3CHKA
SCHEMBL2305188 0.89 TNIK (0.44) TNIKDRD2DRD4DRD3CHKA
SCHEMBL3727190 0.85 CHEK1 (0.48) DYRK1A
SCHEMBL3715527 0.84 DRD2 (0.40) TNIKDRD2DRD4DRD3TGFBR1
SCHEMBL3718893 0.84 DRD2 (0.40) DRD2DRD4DRD3TGFBR1ABL1
SCHEMBL3726796 0.83 ABL1 (0.46) DRD2DRD4DRD3TGFBR1MAP3K11
SCHEMBL3721740 0.81 TGFBR1 (0.42) DRD2DRD4DRD3TGFBR1GSK3B

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 TNIK 4213/4885DRD2 2577/4885DRD4 2342/4885

“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.