SCHEMBL3490577

SCHEMBL3490577

NC1(c2nc3c(-c4ccoc4)cccc3[nH]2)CCN(c2ncnc3[nH]cnc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK3 Q13188 5/20 0.47
STK4 Q13043 4/20 0.47
HRH4 Q9H3N8 1/20 0.39
PARP1 P09874 3/20 0.36
NPY5R Q15761 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
LRRK2 Q5S007 6/20 0.35
AKT2 P31751 2/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
CDC7 O00311 1/20 0.33
ROS1 P08922 1/20 0.33
KIT P10721 1/20 0.33
MARK3 P27448 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
SCHEMBL3490468 0.88 NPY5R (0.44) STK3STK4PARP1NPY5RLRRK2
SCHEMBL13403215 0.88 AKT2 (0.48) STK3STK4CYP2D6AKT2KIT
SCHEMBL3491274 0.85 STK4 (0.43) STK3STK4HRH4CYP1A2CYP3A4
SCHEMBL3489925 0.83 KIT (0.41) STK3STK4HRH4MEN1KMT2A
SCHEMBL3490827 0.82 ROCK2 (0.39) STK3STK4PARP1NPY5RCYP3A4
SCHEMBL14162313 0.78 KIT (0.41) STK3STK4HRH4PARP1NPY5R
SCHEMBL3490873 0.75 AKT2 (0.52) CYP2D6AKT2KITGSK3B
SCHEMBL3490751 0.74 AKT2 (0.48) STK3STK4CYP2D6AKT2KIT
SCHEMBL3489674 0.74 AKT2 (0.50) CYP2D6AKT2KITGSK3B
SCHEMBL3489645 0.74 AKT2 (0.50) CYP2D6AKT2KITGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A STK3 166/4885STK4 443/4885HRH4 683/4885

“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.