SCHEMBL9925937

SCHEMBL9925937

Cc1cnc(N)nc1N[C@@H](C)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 7/20 0.55
GRM4 Q14833 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
FGFR1 P11362 1/20 0.32
JAK2 O60674 3/20 0.31
BCL6 P41182 1/20 0.31
APP P05067 1/20 0.31

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
SCHEMBL179455 0.82 BCL6 (0.46) NUDT1GRM4FGFR1BCL6
SCHEMBL179505 0.82 BCL6 (0.46) NUDT1FGFR1JAK2BCL6
SCHEMBL179464 0.82 BCL6 (0.46) NUDT1FGFR1JAK2BCL6
SCHEMBL179491 0.82 BCL6 (0.46) NUDT1GRM4FGFR1BCL6
SCHEMBL179461 0.82 BCL6 (0.46) NUDT1GRM4FGFR1BCL6
SCHEMBL179356 0.82 BCL6 (0.46) NUDT1FGFR1JAK2BCL6
SCHEMBL9885018 0.80 NUDT1 (0.55) NUDT1GRM4IRAK4
SCHEMBL9884961 0.80 NUDT1 (0.55) NUDT1GRM4IRAK4
SCHEMBL179487 0.80 ULK1 (0.43) NUDT1JAK2BCL6
SCHEMBL179499 0.80 ULK1 (0.43) NUDT1JAK2BCL6

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-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 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 (2 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-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB NUDT1 791/4885GRM4 4193/4885IRAK4 770/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A NUDT1 1283/4885GRM4 4403/4885IRAK4 1146/4885

“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.