SCHEMBL3663923

SCHEMBL3663923

CN(C)[C@H]1CCN(Cc2ccc(-c3cncc(-c4cc(NC5CC5)nc(-c5ccccn5)c4)c3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
MERTK Q12866 3/20 0.40
FLT3 P36888 1/20 0.40
GAS6 Q14393 1/20 0.40
JAK2 O60674 1/20 0.39
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
GPR39 O43194 1/20 0.38
MAP4K4 O95819 2/20 0.38
MCHR1 Q99705 2/20 0.38
LTA4H P09960 1/20 0.38
MELK Q14680 2/20 0.38
AXL P30530 2/20 0.38
CHRM4 P08173 1/20 0.38
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

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
SCHEMBL4178389 1.00 HDAC1 (0.42) HDAC1MERTKFLT3GAS6JAK2
SCHEMBL3723009 0.90 HDAC1 (0.42) HDAC1MERTKFLT3JAK2AKT1
SCHEMBL3717886 0.87 HRH3 (0.40) AKT1AKT2HRH3GPR39MCHR1
SCHEMBL3716176 0.87 MAP4K4 (0.43) HDAC1MERTKJAK2AKT1AKT2
SCHEMBL4168192 0.87 HRH3 (0.40) AKT1AKT2HRH3GPR39MCHR1
SCHEMBL3714748 0.86 TGFBR1 (0.46) HRH3GPR39MCHR1
SCHEMBL3727959 0.86 HDAC1 (0.41) HDAC1MERTKJAK2AKT1AKT2
SCHEMBL3720036 0.86 HDAC1 (0.41) HDAC1MERTKJAK2AKT1AKT2
SCHEMBL3808218 0.84 ABL1 (0.44) AKT1AKT2HRH3GPR39MCHR1
SCHEMBL3718095 0.83 GPR39 (0.39) AKT1AKT2HRH3GPR39MCHR1

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 604/4885MERTK 4434/4885FLT3 4866/4885

“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.