SCHEMBL3659360

SCHEMBL3659360

CN(C)C1CCN(Cc2ccc(-c3cncc(-c4ccnc(-c5ccccn5)n4)c3)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
AKT1 P31749 4/20 0.44
AKT2 P31751 4/20 0.44
HRH3 Q9Y5N1 1/20 0.42
MAP4K4 O95819 2/20 0.42
ABL1 P00519 4/20 0.41
ABL2 P42684 2/20 0.41
KIT P10721 1/20 0.41
LTA4H P09960 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MITF O75030 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AXL P30530 2/20 0.40
MERTK Q12866 2/20 0.40
JAK2 O60674 1/20 0.40
CHRM4 P08173 1/20 0.38
LYN P07948 2/20 0.38
BCR P11274 2/20 0.38
RIPK2 O43353 1/20 0.38
LCK P06239 1/20 0.38

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
SCHEMBL3659357 1.00 HDAC1 (0.45) HDAC1AKT1AKT2HRH3MAP4K4
SCHEMBL3655659 0.91 MAP4K4 (0.43) HDAC1AKT1AKT2HRH3MAP4K4
SCHEMBL3655666 0.91 MAP4K4 (0.43) HDAC1AKT1AKT2HRH3MAP4K4
SCHEMBL3659939 0.87 AKT1 (0.43) HDAC1AKT1AKT2HRH3MAP4K4
SCHEMBL3716176 0.84 MAP4K4 (0.43) HDAC1AKT1AKT2HRH3MAP4K4
SCHEMBL3727959 0.83 HDAC1 (0.41) HDAC1AKT1AKT2HRH3MAP4K4
SCHEMBL3720036 0.83 HDAC1 (0.41) HDAC1AKT1AKT2HRH3MAP4K4
SCHEMBL3663923 0.82 HDAC1 (0.42) HDAC1AKT1AKT2HRH3MAP4K4
SCHEMBL3723009 0.82 HDAC1 (0.42) HDAC1AKT1AKT2HRH3MAP4K4
SCHEMBL4178389 0.82 HDAC1 (0.42) HDAC1AKT1AKT2HRH3MAP4K4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231642-B1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-10-23 EP claimed
US-8431578-B2 Organic compounds NOVARTIS AG (CH) 2013-04-30 US claimed
US-20100298337-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-25 US claimed
EP-2231642-A1 PYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2010-09-29 EP claimed
WO-2009087224-A1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-16 WO claimed
EP-2231642-B1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-10-23 EP disclosed
US-8431578-B2 Organic compounds NOVARTIS AG (CH) 2013-04-30 US disclosed
US-20100298337-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-25 US disclosed
EP-2231642-A1 PYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2010-09-29 EP disclosed
WO-2009087224-A1 PYRIMIDINES AS KINASE INHIBITORS 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-20100298337-A1 Organic Compounds CYP11B2, TNNT2, CPT1B HDAC1 569/4885AKT1 4423/4885AKT2 3966/4885

“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.