SCHEMBL25136199

SCHEMBL25136199

Cn1cncc1-c1nc(C(=O)N[C@H]2CC[C@H](C(F)F)CC2)cc(C(C)(C)O)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 11/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
IDO1 P14902 1/20 0.34
CYP2B6 P20813 1/20 0.34
KCNH2 Q12809 1/20 0.34
RORC P51449 1/20 0.33
CD38 P28907 2/20 0.33
RBP4 P02753 1/20 0.33
TTR P02766 1/20 0.33
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR142 Q7Z601 1/20 0.32

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
SCHEMBL29182168 1.00 HPGDS (0.35) HPGDSCYP3A4CYP2D6IDO1CYP2B6
SCHEMBL30182872 1.00 HPGDS (0.35) HPGDSCYP3A4CYP2D6IDO1CYP2B6
SCHEMBL30182612 0.92 RORC (0.37) CYP3A4CYP2D6IDO1CYP2B6KCNH2
SCHEMBL29182202 0.92 RORC (0.37) CYP3A4CYP2D6IDO1CYP2B6KCNH2
SCHEMBL25135950 0.92 RORC (0.37) CYP3A4CYP2D6IDO1CYP2B6KCNH2
SCHEMBL25136188 0.88 ALDH1A1 (0.40) HPGDSCYP3A4CYP2D6IDO1CYP2B6
SCHEMBL25136297 0.88 ALDH1A1 (0.40) HPGDSCYP3A4CYP2D6IDO1CYP2B6
SCHEMBL29182201 0.88 ALDH1A1 (0.40) HPGDSCYP3A4CYP2D6IDO1CYP2B6
SCHEMBL25136255 0.86 CD38 (0.46) HPGDSCYP2D6CYP2B6CD38WNT1
SCHEMBL29182239 0.86 CD38 (0.46) HPGDSCYP2D6CYP2B6CD38WNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT HPGDS 1523/4885CYP3A4 538/4885CYP2D6 1605/4885

“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.