SCHEMBL14364624

SCHEMBL14364624

COc1ccccc1-n1c(-c2nonc2N)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 15/20 1.00
▸ ROCK1 Q13464 11/20 1.00
▸ GSK3B P49841 9/20 0.64
▸ PRKACA P17612 6/20 0.64
▸ TSHR P16473 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ RPS6KA5 O75582 1/20 0.56
▸ PTGS2 P35354 1/20 0.55
▸ HTT P42858 2/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL4718290 0.88 RPS6KB1 (0.78) RPS6KB1ROCK1GSK3BPRKACARPS6KA5
SCHEMBL14364625 0.81 RPS6KB1 (1.00) RPS6KB1ROCK1GSK3BPRKACATSHR
SCHEMBL4805260 0.79 RPS6KB1 (0.66) RPS6KB1ROCK1GSK3BPRKACATSHR
SCHEMBL14364626 0.79 RPS6KB1 (1.00) RPS6KB1ROCK1GSK3BPRKACATSHR
SCHEMBL14364630 0.79 RPS6KB1 (1.00) RPS6KB1ROCK1GSK3BPRKACATSHR
SCHEMBL1903910 0.78 RPS6KB1 (1.00) RPS6KB1ROCK1GSK3BPRKACATSHR
SCHEMBL4718378 0.77 RPS6KB1 (0.62) RPS6KB1ROCK1GSK3BPRKACATSHR
SCHEMBL1897408 0.75 RPS6KB1 (1.00) RPS6KB1ROCK1GSK3BPRKACATSHR
SCHEMBL3068154 0.75 TSHR (0.66) RPS6KB1ROCK1TSHRKMT2ALMNA
SCHEMBL6407637 0.74 RPS6KB1 (0.81) RPS6KB1ROCK1GSK3BPRKACATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US disclosed
US-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — 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-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 GSK3B, GSK3A, GSKIP RPS6KB1 417/4885ROCK1 133/4885GSK3B 1/4885

“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.

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