SCHEMBL20133799

SCHEMBL20133799

Bc1c(C)nc(C)c(CC)c1C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
KDM5B Q9UGL1 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL25675415 0.77 CDC7 (0.34) CDC7DBF4GAAMAPTTLR8
SCHEMBL16189021 0.71 TLR8 (0.35) CDC7DBF4GAAMAPTTLR8
SCHEMBL25675417 0.71 TLR8 (0.31) TLR8TLR7KDM5BKDM4EALDH1A1
SCHEMBL1586348 0.67 CYP1A2 (0.39) CDC7DBF4GAAMAPTTLR8
SCHEMBL9287308 0.67 TLR8 (0.55) CDC7DBF4GAAMAPTTLR8
SCHEMBL1586206 0.67 GAA (0.38) CDC7DBF4GAAMAPTTLR8
SCHEMBL16317090 0.67 GAA (0.32) GAAMAPTTLR8TLR7KDM5B
SCHEMBL15362261 0.66
SCHEMBL25759813 0.64 GCGR (0.34) CDC7DBF4GAAMAPTKDM4E
SCHEMBL19413717 0.64 KDM4E (0.33) KDM4E

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
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 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-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR CDC7 2141/4885DBF4 2963/4885GAA 1949/4885

“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.