SCHEMBL3728645

SCHEMBL3728645

CN1CCOc2ccc(-c3cncc(-c4cc(NC5CC5)nc(-c5ccccn5)c4)c3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
GPR39 O43194 2/20 0.41
PFKFB3 Q16875 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
GSK3B P49841 4/20 0.36
DYRK1A Q13627 4/20 0.36
PIM1 P11309 3/20 0.36
KCNH2 Q12809 2/20 0.36
PIM3 Q86V86 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
GRM5 P41594 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4175691 0.76 CYP1A2 (0.46) CYP11B1CYP11B2GPR39PIM1GRM5
SCHEMBL3665002 0.76 GPR39 (0.47) GPR39PIM1PIM3PIM2
SCHEMBL4192009 0.76 GPR39 (0.43) GPR39DYRK1APIM1PIM2SYK
SCHEMBL3663705 0.76 GPR39 (0.43) GPR39GSK3BDYRK1APIM1PIM2
SCHEMBL3714748 0.75 TGFBR1 (0.46) GPR39GSK3BDYRK1A
SCHEMBL4185251 0.74 GPR39 (0.44) GPR39GSK3BDYRK1AGRM5
SCHEMBL3718754 0.74 NRAS (0.46) CYP11B2GPR39IRAK4PIK3CDPIK3CA
SCHEMBL3661666 0.73 GPR39 (0.45) GPR39PIM1PIM3PIM2GRM5
SCHEMBL3721636 0.73 ASIC3 (0.43) GPR39IRAK4GSK3BDYRK1APIM1
SCHEMBL3725223 0.73 GHSR (0.45) GPR39GSK3BDYRK1ASYK

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 CYP11B1 16/4885CYP11B2 26/4885GPR39 222/4885

“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.