SCHEMBL3723009

SCHEMBL3723009

[2H]C([2H])([2H])Nc1cc(-c2cncc(-c3ccc(CN4CC[C@H](N(C)C)C4)cc3)c2)cc(-c2ccccn2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
AKT1 P31749 3/20 0.39
AKT2 P31751 3/20 0.39
JAK2 O60674 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MAP4K4 O95819 2/20 0.38
LTA4H P09960 1/20 0.38
MELK Q14680 2/20 0.38
AXL P30530 3/20 0.38
MERTK Q12866 3/20 0.38
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MCHR1 Q99705 1/20 0.36
SCN1A P35498 2/20 0.36
SCN8A Q9UQD0 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MITF O75030 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM4 P08173 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL3663923 0.90 HDAC1 (0.42) HDAC1AKT1AKT2JAK2HRH3
SCHEMBL4178389 0.90 HDAC1 (0.42) HDAC1AKT1AKT2JAK2HRH3
SCHEMBL3716176 0.87 MAP4K4 (0.43) HDAC1AKT1AKT2JAK2HRH3
SCHEMBL3727959 0.86 HDAC1 (0.41) HDAC1AKT1AKT2JAK2HRH3
SCHEMBL3720036 0.86 HDAC1 (0.41) HDAC1AKT1AKT2JAK2HRH3
SCHEMBL3722539 0.84 DRD2 (0.41) AKT1AKT2FLT3MCHR1AKT3
SCHEMBL3726796 0.84 ABL1 (0.46) AKT1AKT2
SCHEMBL3718893 0.82 DRD2 (0.40) HDAC1
SCHEMBL3715527 0.82 DRD2 (0.40) AKT1AKT2MCHR1AKT3
SCHEMBL3659360 0.82 HDAC1 (0.45) HDAC1AKT1AKT2JAK2HRH3

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 HDAC1 604/4885AKT1 2658/4885AKT2 2471/4885

“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.