SCHEMBL3064196

SCHEMBL3064196

O=C1NCCNc2cc(C3CC3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 3/20 0.38
AKR1B1 P15121 3/20 0.38
PARP10 Q53GL7 8/20 0.37
PARP11 Q9NR21 5/20 0.37
EPHX2 P34913 1/20 0.36
MAPK1 P28482 1/20 0.35
QDPR P09417 1/20 0.35
NOTUM Q6P988 1/20 0.34
PARP1 P09874 5/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 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
SCHEMBL1431861 0.78 PARP10 (0.58) PARP10PARP11MAPK1PARP1F7
SCHEMBL15525933 0.76 FABP6 (0.51) AKR1A1AKR1B1PARP10PARP11MAPK1
SCHEMBL30430237 0.73 PARP10 (0.61) PARP10PARP11PARP1F7F3
SCHEMBL3065999 0.73 PARP10 (0.61) PARP10PARP11PARP1F7F3
SCHEMBL7859333 0.73 PARP10 (0.61) PARP10PARP11PARP1ALDH1A1LMNA
SCHEMBL2062503 0.73 CA9 (0.41) PARP10PARP11MAPK1PARP1F7
SCHEMBL22048253 0.71 PARP10 (0.54) PARP10PARP11MAPK1PARP1F7
SCHEMBL700185 0.69 NPC1 (0.43) PARP10PARP11PARP1F7F3
SCHEMBL30596592 0.69 QDPR (0.46) QDPR
SCHEMBL5584640 0.69 QDPR (0.46) QDPR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318719-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-11-27 US disclosed
US-8318719-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-11-27 US disclosed
US-8318719-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-11-27 US disclosed
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2010-10-28 US disclosed
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2010-10-28 US disclosed
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2010-10-28 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-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN AKR1A1 3828/4885AKR1B1 3831/4885PARP10 1100/4885

“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.