SCHEMBL15070844

SCHEMBL15070844

CC(C)c1cnc2c(c1)CCC2=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.31
CYP11B2 P19099 3/20 0.31
CYP19A1 P11511 1/20 0.31
CYP17A1 P05093 1/20 0.30
MIF P14174 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
SCHEMBL15070852 0.89 KDM4E (0.36)
SCHEMBL799132 0.77 MEN1 (0.38) CYP11B1CYP11B2CYP19A1
SCHEMBL1915232 0.77 KMT2A (0.41)
SCHEMBL15070851 0.76 MEN1 (0.35)
SCHEMBL15070849 0.75 MAOB (0.34)
SCHEMBL30849370 0.73 FNTA (0.33) CYP11B1CYP11B2
SCHEMBL29207149 0.73 FNTA (0.33) CYP11B1CYP11B2
SCHEMBL30849369 0.73 FNTA (0.33) CYP11B1CYP11B2
SCHEMBL568921 0.73 PTGS1 (0.39)
SCHEMBL16043515 0.73 DYRK1A (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165472-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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 (3 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-20130165472-A1 HETEROARYLS AND USES THEREOF PIK3R4, VPS4B, PIK3C2A CYP11B1 1084/4885CYP11B2 1320/4885CYP19A1 1522/4885
US-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B CYP11B1 1087/4885CYP11B2 1579/4885CYP19A1 3006/4885
US-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 CYP11B1 955/4885CYP11B2 1107/4885CYP19A1 2748/4885

“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.