SCHEMBL3587629

SCHEMBL3587629

Nc1ccc(N)c(-c2ncc3cnn(-c4ccc(OCc5ccccc5)c5c4CCCC5)c3n2)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ROCK1 Q13464 1/20 0.35
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
XDH P47989 1/20 0.32
MAP4K4 O95819 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
SCHEMBL3587627 0.80 CDK4 (0.35) CYP19A1CYP11B1CYP11B2ROCK1
SCHEMBL1356804 0.75 DHFR (0.36)
SCHEMBL3583981 0.71 ALDH1A1 (0.41) CYP11B1CYP11B2
SCHEMBL3575913 0.70 NPC1 (0.41)
SCHEMBL3589708 0.69 STAT6 (0.52)
SCHEMBL3580939 0.69 CDK4 (0.53)
SCHEMBL3586266 0.68 AURKA (0.42)
SCHEMBL3581992 0.68 RAB9A (0.45)
SCHEMBL3590038 0.68 PRMT5 (0.46)
SCHEMBL1355247 0.66 GSK3B (0.46)

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 CYP19A1 1327/4885CYP11B1 824/4885CYP11B2 1013/4885

“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.