SCHEMBL3721745

SCHEMBL3721745

CC(C)N1CCN(CCn2cc(-c3cncc(-c4cc(CN)nc(-c5ccccn5)c4)c3)cn2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.35
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
MAPK1 P28482 1/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
F12 P00748 2/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
PIM1 P11309 1/20 0.33
MET P08581 2/20 0.33
PIK3CA P42336 1/20 0.33
CREBBP Q92793 2/20 0.33
VCP P55072 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ACVR1B P36896 1/20 0.32

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
SCHEMBL3717465 0.83 DRD2 (0.41) PIK3CATGFBR1
SCHEMBL3718052 0.82 MET (0.43) JAK2GSK3BDYRK1AMET
SCHEMBL3720795 0.81 DRD2 (0.38) DYRK1ATGFBR1
SCHEMBL3721182 0.79 GRM5 (0.36) F12PIK3CA
SCHEMBL3715119 0.77 CYP11B2 (0.47) CYP11B2IKBKETBK1MAPK1JAK2
SCHEMBL4181566 0.76 MAPK1 (0.46) CYP11B2IKBKETBK1MAPK1JAK2
SCHEMBL3806331 0.73 DRD2 (0.40) PIK3CATGFBR1
SCHEMBL13743824 0.73 CYP11B2 (0.39) CYP11B2IKBKETBK1WNT1GSK3B
SCHEMBL3718754 0.72 NRAS (0.46) CYP11B2IKBKETBK1MAPK1JAK2
SCHEMBL3717439 0.72 DRD2 (0.42) PIK3CATGFBR1

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 CYP11B2 26/4885IKBKE 450/4885TBK1 1675/4885

“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.