SCHEMBL4186047

SCHEMBL4186047

CC(C)N1CCN(Cc2ccc(-c3cncc(-c4cc(CN)nc(-c5ccn(C)n5)c4)c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PIK3CD O00329 2/20 0.37
PIK3R1 P27986 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
PRMT6 Q96LA8 1/20 0.36
ABL1 P00519 1/20 0.36
KIT P10721 1/20 0.36
ABL2 P42684 1/20 0.36
ACVR1 Q04771 3/20 0.36
HRH3 Q9Y5N1 2/20 0.34
LRRK2 Q5S007 1/20 0.34
CDK6 Q00534 3/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CDK1 P06493 1/20 0.33

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
SCHEMBL3726227 0.86 PARP1 (0.39) PARP1PARP2MKNK1MKNK2PIK3CD
SCHEMBL3717465 0.85 DRD2 (0.41) PARP1PARP2PIK3CDPIK3R1PIK3CA
SCHEMBL3720896 0.85 PIK3CD (0.38) PARP1PARP2PIK3CDPIK3R1PIK3CA
SCHEMBL3812410 0.77 LRRK2 (0.40) PARP1PARP2PIK3CDPIK3R1PIK3CA
SCHEMBL3720795 0.76 DRD2 (0.38) LRRK2DRD2DRD4DRD3
SCHEMBL3806331 0.74 DRD2 (0.40) PARP1PARP2PIK3CDPIK3R1PIK3CA
SCHEMBL3719788 0.74 MKNK1 (0.40) MKNK1MKNK2PIK3CDPIK3CAPIK3CB
SCHEMBL3717439 0.73 DRD2 (0.42) PARP1PARP2PIK3CDPIK3R1PIK3CA
SCHEMBL3721729 0.73 PARP1 (0.39) PARP1PARP2PIK3CDPIK3R1PIK3CA
SCHEMBL3725926 0.72 PARP1 (0.40) PARP1PARP2PIK3CDPIK3R1PIK3CA

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 3 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
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK PARP1 4338/4885PARP2 4719/4885MKNK1 4339/4885

“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.