SCHEMBL4177871

SCHEMBL4177871

COc1ccc(N2CCN(C)CC2)cc1C(C#N)C(C#N)c1cc(N2CCN(C)CC2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.48
HTR6 P50406 3/20 0.46
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TNIK Q9UKE5 1/20 0.42
NSD2 O96028 2/20 0.42
HTR3A P46098 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4181970 0.83 SIRT6 (0.46) SIRT6HTR6POLBNPC1RAB9A
SCHEMBL13243994 0.77 SIRT6 (0.63) SIRT6HTR6POLBNPC1RAB9A
SCHEMBL4697729 0.75 HTR6 (0.49) SIRT6HTR6POLBNPC1RAB9A
SCHEMBL1911838 0.74 SIRT6 (0.56) SIRT6HTR6POLBNPC1RAB9A
SCHEMBL14924083 0.74 SIRT6 (0.56) SIRT6HTR6POLBNPC1RAB9A
SCHEMBL1527171 0.73 MAPT (0.58) SIRT6HTR6POLBNPC1RAB9A
SCHEMBL1599288 0.73 FYN (0.57) SIRT6HTR6POLBNPC1RAB9A
SCHEMBL3649294 0.73 SIRT6 (0.55) SIRT6HTR6POLBNPC1RAB9A
SCHEMBL30595859 0.73 MAPT (0.58) SIRT6HTR6POLBNPC1RAB9A
SCHEMBL14922721 0.73 SIRT6 (0.55) SIRT6HTR6POLBNPC1RAB9A

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
US-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 US disclosed
US-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders SIVASANKARAN RAJEEV 2009-03-12 US disclosed
US-20050222171-A1 Organic compounds NOVARTIS AG (CH) 2005-10-06 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 (3 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-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders EPHA5, EPHA7, EPHA1 SIRT6 4086/4885HTR6 289/4885POLB 4118/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 SIRT6 2923/4885HTR6 1565/4885POLB 1229/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 SIRT6 2923/4885HTR6 1565/4885POLB 1229/4885

“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.