SCHEMBL3489784

SCHEMBL3489784

COc1ccc(-c2cccc3[nH]c(C4(N)CCN(c5ncnc6[nH]ncc56)CC4)nc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 2/20 0.46
KIT P10721 8/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
HRH4 Q9H3N8 1/20 0.41
RPS6KB1 P23443 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
LIMK1 P53667 1/20 0.40
LIMK2 P53671 1/20 0.40
PDPK1 O15530 1/20 0.40
HTT P42858 2/20 0.39
PDGFRB P09619 1/20 0.39
AKT2 P31751 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
NR2F2 P24468 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3490649 0.90 LMNA (0.51) PAK1KITLMNAMAPTRPS6KB1
SCHEMBL13403206 0.87 AKT2 (0.53) KITHRH4ROCK2PRKACAPRKACG
SCHEMBL3489798 0.87 RPS6KB1 (0.41) PAK1LMNAMAPTRPS6KB1ROCK2
SCHEMBL3489925 0.85 KIT (0.41) KITLMNAMAPTHRH4HTT
SCHEMBL3491274 0.84 STK4 (0.43) PAK1LMNAMAPTHRH4RPS6KB1
SCHEMBL3490606 0.81 PAK1 (0.48) PAK1KITLMNAMAPTRPS6KB1
SCHEMBL13403205 0.79 AKT2 (0.58) KITROCK2PRKACAPRKACGPRKACB
SCHEMBL3490512 0.77 LMNA (0.55) PAK1KITLMNAMAPTRPS6KB1
SCHEMBL3491282 0.76 AKT2 (0.48) RPS6KB1ROCK2PRKACAPRKACGPRKACB
SCHEMBL3488883 0.76 AKT2 (0.49) ROCK2PRKACAPRKACGPRKACBLIMK1

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-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

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 PAK1 502/4885KIT 2170/4885LMNA 1923/4885

“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.