SCHEMBL3728093

SCHEMBL3728093

CC(C)N1CCN(C(=O)c2ccc(-c3cncc(-c4cc(N)nc(-c5ccccn5)c4)c3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F12 P00748 3/20 0.48
ABL1 P00519 3/20 0.46
BCR P11274 3/20 0.46
SLC6A7 Q99884 2/20 0.45
HRH3 Q9Y5N1 4/20 0.44
MET P08581 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
SYK P43405 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
TGFBR1 P36897 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL3719738 0.90 POLB (0.49) F12ABL1BCRSLC6A7SYK
SCHEMBL3658377 0.88 ABL1 (0.45) F12ABL1BCRSLC6A7HRH3
SCHEMBL3719305 0.86 CCNC (0.54) L3MBTL1
SCHEMBL3719497 0.86 SYK (0.44) F12ABL1BCRSLC6A7HRH3
SCHEMBL3726132 0.86 ABL1 (0.48) F12ABL1BCRSLC6A7HRH3
SCHEMBL3663032 0.84 ABL1 (0.48) F12ABL1BCRSLC6A7HRH3
SCHEMBL3659805 0.82 ABL1 (0.46) F12ABL1BCRSLC6A7HRH3
SCHEMBL3717439 0.82 DRD2 (0.42) ALDH1A1TGFBR1
SCHEMBL3659917 0.80 HRH3 (0.46) F12ABL1BCRSLC6A7HRH3
SCHEMBL3723325 0.78 HRH3 (0.44) ABL1BCRSLC6A7HRH3MET

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 F12 35/4885ABL1 3285/4885BCR 3455/4885

“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.