SCHEMBL13657916

SCHEMBL13657916

CB(O)/N=C(\N=C/B=O)Nc1ccc(N2CC3CC2CN3C)c(C)c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL14616515 0.75 JAK2 (0.30) —
SCHEMBL4277920 0.71 CHRNA7 (0.34) TP53GAAMAPTSMN1; SMN2
SCHEMBL13657917 0.71 CHRNA7 (0.34) TP53GAAMAPTSMN1; SMN2
SCHEMBL18745734 0.65 PAK1 (0.34) —
SCHEMBL18745735 0.64 RORC (0.33) TP53GAAMAPTSMN1; SMN2
SCHEMBL4277739 0.64 PAK1 (0.33) TP53GAAMAPTSMN1; SMN2
SCHEMBL13657915 0.62 MAPT (0.45) GAAMAPT
SCHEMBL25900470 0.62 CHRNA7 (0.40) —
SCHEMBL30912529 0.62 MAPT (0.45) GAAMAPT
SCHEMBL30912434 0.62 MAPT (0.45) GAAMAPT

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-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 — — US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 — — 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-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 TP53 907/4885GAA 3046/4885MAPT 3238/4885

“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.

Send feedback