SCHEMBL18483510

SCHEMBL18483510

COc1ccc(Cn2nc(C)c(C)c2C)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.44
▸ NR3C1 P04150 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ GRIN1 Q05586 2/20 0.39
▸ GRIN2B Q13224 2/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ TRPV6 Q9H1D0 1/20 0.39
▸ KDR P35968 2/20 0.38
▸ TEK Q02763 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ERCC5 P28715 1/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL16832607 0.86 GAA (0.58) CYP11B1NR3C1GAAGFERGRIN1
SCHEMBL16832554 0.80 RAB9A (0.57) GAAGFERKDM4ELMNA
SCHEMBL16855409 0.80 ALDH1A1 (0.44) CYP11B1NR3C1GAAKDM4ELMNA
SCHEMBL18482968 0.75 BRD4 (0.41) GAAGFERSLC2A1KDM4ELMNA
SCHEMBL16832896 0.75 SLC2A1 (0.42) CYP11B1NR3C1GAAGFERGRIN1
SCHEMBL1491113 0.73 ALDH1A1 (0.54) CYP11B1GRIN1GRIN2BTRPV6KDR
SCHEMBL18484095 0.73 GAA (0.70) GAAGFERSLC2A1KDM4ELMNA
SCHEMBL3487850 0.72 GRIN1 (0.44) CYP11B1NR3C1GRIN1GRIN2BSLC2A1
SCHEMBL18483002 0.71 SLC2A1 (0.71) GAAGFERSLC2A1KDM4ELMNA
SCHEMBL17949620 0.71 ALDH1A1 (0.54) CYP11B1GAAGRIN1GRIN2BKDM4E

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-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 — — 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-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 CYP11B1 451/4885NR3C1 1982/4885GAA 86/4885

“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.

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