SCHEMBL3581065

SCHEMBL3581065

Nc1ccc(N)c(-c2ncc3cnn(C4CCc5ccccc54)c3n2)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.36
BTK Q06187 3/20 0.36
ATR Q13535 1/20 0.35
HSD11B1 P28845 3/20 0.34
CTSD P07339 1/20 0.34
MARK3 P27448 2/20 0.34
MARK4 Q96L34 2/20 0.34
HTR6 P50406 3/20 0.32
CYP11B2 P19099 3/20 0.31
F2 P00734 1/20 0.31
F12 P00748 1/20 0.31
CYP19A1 P11511 2/20 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
SCHEMBL1355216 0.85 CYP19A1 (0.38) PIK3CDBTKCYP19A1
SCHEMBL3589889 0.82 OPRL1 (0.34)
SCHEMBL3590539 0.80 PIK3CD (0.40) PIK3CDBTKATRHSD11B1CTSD
SCHEMBL1355225 0.77 AURKA (0.41)
SCHEMBL3585565 0.77 MARK3 (0.42) PIK3CDMARK3MARK4HTR6
SCHEMBL3587338 0.77 MARK3 (0.42) PIK3CDMARK3MARK4HTR6
SCHEMBL3576056 0.77 MARK3 (0.42) PIK3CDMARK3MARK4HTR6
SCHEMBL1356827 0.73 HTR6 (0.39) PIK3CDHTR6
SCHEMBL1356829 0.73 HTR6 (0.39) PIK3CDHTR6
SCHEMBL1356138 0.73 KDM4E (0.38) PIK3CDBTKATRHSD11B1MARK3

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-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US claimed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 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-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B PIK3CD 347/4885BTK 794/4885ATR 348/4885

“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.