SCHEMBL864002

SCHEMBL864002

COC(=O)CCCCCCn1c2nc(=O)n(C)c(=O)c-2nc2cc(C)c(C)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ DYRK1A Q13627 2/20 0.41
▸ FAAH O00519 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ PDE3B Q13370 3/20 0.38
▸ PDE3A Q14432 3/20 0.38
▸ PDE2A O00408 2/20 0.38
▸ P2RY12 Q9H244 2/20 0.38
▸ KAT2B Q92831 2/20 0.38
▸ P2RX3 P56373 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GLA P06280 1/20 0.37

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
SCHEMBL864708 0.88 KDM4E (0.43) MAPTKDM4EMEN1USP2IDO1
SCHEMBL864499 0.82 MEN1 (0.66) MAPTKDM4EMEN1USP2IDO1
SCHEMBL13496387 0.81 DYRK1A (0.36) MAPTKDM4EMEN1USP2IDO1
SCHEMBL16476446 0.78 KDM4E (0.43) MAPTKDM4EMEN1USP2IDO1
SCHEMBL19415772 0.75 KDM4E (0.43) MAPTKDM4EMEN1USP2IDO1
SCHEMBL8510100 0.75 KDM4E (0.42) MAPTKDM4EMEN1USP2IDO1
SCHEMBL865632 0.74 MEN1 (0.55) MAPTKDM4EMEN1USP2IDO1
SCHEMBL864814 0.73 MEN1 (0.68) MAPTKDM4EMEN1USP2IDO1
SCHEMBL10250922 0.73 MEN1 (0.54) MAPTKDM4EMEN1USP2IDO1
SCHEMBL865521 0.73 MEN1 (0.64) MAPTKDM4EMEN1USP2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 — — US disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 — — US disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 — — US disclosed
EP-2320734-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2011-05-18 — — EP disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 — — WO disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 — — WO 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-20120077781-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS MAPT 4674/4885KDM4E 1942/4885MEN1 4416/4885

“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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