SCHEMBL3720896

SCHEMBL3720896

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.38
PIK3R1 P27986 3/20 0.38
PIK3CA P42336 3/20 0.38
PIK3CB P42338 3/20 0.38
PIK3CG P48736 3/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PRMT6 Q96LA8 1/20 0.36
ACVR1 Q04771 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC1 Q13547 3/20 0.34
CDK6 Q00534 2/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
TLR7 Q9NYK1 2/20 0.34

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
SCHEMBL3721729 0.89 PARP1 (0.39) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL3725926 0.88 PARP1 (0.40) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL3717465 0.88 DRD2 (0.41) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL4186047 0.85 PARP1 (0.41) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL3727999 0.84 PIK3CD (0.40) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL3718443 0.83 ACVR1 (0.41) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL3717807 0.81 JAK2 (0.39) PARP1PARP2PRMT6IRAK4HDAC1
SCHEMBL3720795 0.81 DRD2 (0.38) KDM4EALDH1A1TDP1DRD2DRD4
SCHEMBL4156276 0.79 MAP3K11 (0.42) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL3806331 0.77 DRD2 (0.40) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG

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 PIK3CD 4364/4885PIK3R1 2640/4885PIK3CA 3688/4885

“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.