SCHEMBL12093687

SCHEMBL12093687

CCCc1ccnc(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 3/20 0.65
▸ LOX P28300 2/20 0.65
▸ FFAR1 O14842 1/20 0.41
▸ GSK3A P49840 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ SLC13A5 Q86YT5 1/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ PLA2G7 Q13093 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ CCR1 P32246 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 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
SCHEMBL19492384 0.86 LOX (0.57) LOXL2LOXGSK3AGSK3BPLA2G7
SCHEMBL805488 0.84 LOXL2 (0.69) LOXL2LOXFFAR1GSK3AGSK3B
SCHEMBL20785348 0.83 LOXL2 (0.49) LOXL2LOXNR3C2
SCHEMBL2497237 0.83 LOXL2 (0.62) LOXL2LOXFFAR1GSK3AGSK3B
SCHEMBL22336235 0.83 LOXL2 (0.68) LOXL2LOXFFAR1GSK3AGSK3B
SCHEMBL31583016 0.83 LOXL2 (0.62) LOXL2LOXFFAR1GSK3AGSK3B
SCHEMBL14486857 0.83 LOXL2 (0.62) LOXL2LOXFFAR1GSK3AGSK3B
SCHEMBL12093676 0.83 LOXL2 (0.62) LOXL2LOXFFAR1GSK3AGSK3B
SCHEMBL6218599 0.83 LOXL2 (0.73) LOXL2LOXFFAR1KDM4ELMNA
SCHEMBL21227110 0.81 LOXL2 (0.61) LOXL2LOXFFAR1GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 — — US disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 — — US disclosed
EP-2970224-B1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS INC (US) 2017-09-06 — — EP disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 — — US disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 — — US disclosed
WO-2014152134-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2014-09-25 — — WO disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 — — US disclosed
WO-2011059021-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-05-19 — — WO disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 — — 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 (4 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-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP LOXL2 3853/4885LOX 2774/4885FFAR1 3008/4885
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE HDAC10, HDAC11, HDAC1 LOXL2 3035/4885LOX 3400/4885FFAR1 887/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP LOXL2 3853/4885LOX 2774/4885FFAR1 3008/4885
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 LOXL2 2368/4885LOX 1908/4885FFAR1 180/4885

“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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