SCHEMBL3721729

SCHEMBL3721729

Cc1cccc(-c2cc(-c3cncc(-c4ccc(CN5CCN(C(C)C)CC5)cc4)c3)cc(N)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PIK3CD O00329 2/20 0.39
PIK3R1 P27986 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
ACVR1 Q04771 2/20 0.38
NOS3 P29474 3/20 0.38
NOS1 P29475 3/20 0.38
HDAC1 Q13547 3/20 0.37
KCNH2 Q12809 1/20 0.36
LRRK2 Q5S007 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CDK6 Q00534 2/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35

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
SCHEMBL3725926 0.90 PARP1 (0.40) PARP1PARP2PIK3CDPIK3R1PIK3CA
SCHEMBL3720896 0.89 PIK3CD (0.38) PARP1PARP2PIK3CDPIK3R1PIK3CA
SCHEMBL3717439 0.87 DRD2 (0.42) PARP1PARP2PIK3CDPIK3R1PIK3CA
SCHEMBL3727999 0.86 PIK3CD (0.40) PARP1PARP2PIK3CDPIK3R1PIK3CA
SCHEMBL3718443 0.85 ACVR1 (0.41) PARP1PARP2PIK3CDPIK3R1PIK3CA
SCHEMBL4156276 0.81 MAP3K11 (0.42) PARP1PARP2PIK3CDPIK3R1PIK3CA
SCHEMBL3721695 0.80 LRRK2 (0.41) HDAC1KCNH2LRRK2KDM4EALDH1A1
SCHEMBL3717465 0.76 DRD2 (0.41) PARP1PARP2PIK3CDPIK3R1PIK3CA
SCHEMBL4150896 0.76 TGFBR1 (0.38) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL13743307 0.75 PIK3CD (0.46) 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 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 PARP1 4338/4885PARP2 4719/4885PIK3CD 4364/4885

“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.