SCHEMBL3716643

SCHEMBL3716643

[2H]C([2H])([2H])N1CCN(C(=O)c2ccc(-c3cncc(-c4cc(-c5ccccn5)nc(C(C)(C)O)c4)c3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.48
BCR P11274 7/20 0.48
SLC6A7 Q99884 4/20 0.43
ALDH1A1 P00352 3/20 0.40
TGFBR1 P36897 2/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
FASN P49327 1/20 0.39
RIPK1 Q13546 1/20 0.39
KCNH2 Q12809 1/20 0.39
TSHR P16473 2/20 0.39
TACR3 P29371 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 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
SCHEMBL3716702 0.84 DRD2 (0.40) ABL1BCRALDH1A1TGFBR1TSHR
SCHEMBL3718535 0.83 GHSR (0.42) ABL1BCRSLC6A7TGFBR1HPGD
SCHEMBL3727963 0.81 ABL1 (0.50) ABL1BCRSLC6A7L3MBTL1POLB
SCHEMBL3719738 0.81 POLB (0.49) ABL1BCRSLC6A7ALDH1A1TGFBR1
SCHEMBL3721461 0.80 RIPK1 (0.48) ABL1BCRSLC6A7ALDH1A1TGFBR1
SCHEMBL3723739 0.78 ABL1 (0.50) ABL1BCRSLC6A7ALDH1A1TGFBR1
SCHEMBL3722384 0.76 ABL1 (0.48) ABL1BCRSLC6A7ALDH1A1TGFBR1
SCHEMBL4186173 0.76 ABL1 (0.48) ABL1BCRSLC6A7KCNH2
SCHEMBL3726132 0.76 ABL1 (0.48) ABL1BCRSLC6A7
SCHEMBL3719755 0.76 TBK1 (0.44) MAPT

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 ABL1 3285/4885BCR 3455/4885SLC6A7 2581/4885

“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.