SCHEMBL4285309

SCHEMBL4285309

Cc1ccc(N)cc1CN1CCC(N(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
KDM1A O60341 1/20 0.40
MAP4K4 O95819 2/20 0.39
LTA4H P09960 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AXL P30530 3/20 0.39
MERTK Q12866 3/20 0.39
NSD2 O96028 1/20 0.39
ACHE P22303 3/20 0.38
FGFR1 P11362 2/20 0.38
NR1H2 P55055 1/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
MEN1 O00255 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
SCHEMBL4371470 0.85 LTA4H (0.41) KDM1AMAP4K4LTA4HKDM4EMITF
SCHEMBL274217 0.83 NR1H2 (0.48) MAP4K4KDM4ENR1H2
SCHEMBL17134986 0.83 CXCR3 (0.46) KMT2AMAP4K4LTA4HKDM4EMITF
SCHEMBL17134989 0.83 CXCR3 (0.46) KMT2AMAP4K4LTA4HKDM4EMITF
SCHEMBL3399112 0.81 KMT2A (0.47) KMT2AMAPK1KDM4EACHEMEN1
SCHEMBL15687979 0.81 NR1H2 (0.61) MAP4K4NR1H2
SCHEMBL589420 0.81 NR1H2 (0.61) MAP4K4NR1H2
SCHEMBL589421 0.81 NR1H2 (0.61) MAP4K4NR1H2
SCHEMBL12073513 0.79 LTA4H (0.54) MAP4K4LTA4HGRM2
SCHEMBL3399889 0.78 KMT2A (0.45) KMT2AMAPK1LTA4HACHEMEN1

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
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US claimed
CN-101981036-B Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2013-09-04 CN disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
CN-101981036-A Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2011-02-23 CN disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 KMT2A 1885/4885MAPK1 13/4885KDM1A 2268/4885

“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.