SCHEMBL4732997

SCHEMBL4732997

O=C(O)c1cc(Oc2ncccc2-c2cnco2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
FEN1 P39748 2/20 0.39
P2RX3 P56373 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PDK2 Q15119 1/20 0.36
RAB9A P51151 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
P2RY1 P47900 1/20 0.35
TEK Q02763 1/20 0.35
PYGL P06737 1/20 0.35
PYGM P11217 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
SCHEMBL4731989 0.91 RAB9A (0.37) FEN1CARM1PRMT6PDK2RAB9A
SCHEMBL12543844 0.80 BRAF (0.51) P2RY1TEK
SCHEMBL12543893 0.78 TMPRSS4 (0.47) P2RY1TEK
SCHEMBL4884242 0.76 TNKS (0.44) RAB9ATEK
SCHEMBL4735355 0.74 ADRB1 (0.41) ADRB1ADRB3P2RX3CARM1PRMT6
SCHEMBL4733431 0.73 BACE1 (0.44) ADRB1ADRB3FEN1CARM1PRMT6
SCHEMBL6460814 0.71 CARM1 (0.52) CARM1PRMT6RAB9A
SCHEMBL20522821 0.71 ADRB1 (0.57) ADRB1ADRB3RAB9A
SCHEMBL1264174 0.71 TEK (0.60) TEK
SCHEMBL4879222 0.71 CTNNB1 (0.42) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822514-B2 Multi-cyclic compounds and methods of use AMGEN INC. (US) 2014-09-02 US disclosed
US-20120245206-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2012-09-27 US disclosed
US-8236823-B2 Multi-cyclic compounds and methods of use AMGEN INC. (US) 2012-08-07 US disclosed
US-20080255205-A1 protein kinase receptors (like Tie-2 and Aurora) modulators; to treat cancer, inflammation and related disorders; to regulate active angiogenesis, cell-signal transduction; 5-(3-(1H-tetrazol-5-yl)pyridin-2-yloxy)-N-(3-chlorobenzyl)-2-fluorobenzamide AMGEN INC. (US) 2008-10-16 US disclosed
WO-2008057280-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2008-05-15 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 (2 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-20120245206-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE TIE1, FLT4, CDK1 ADRB1 1007/4885ADRB3 1174/4885FEN1 2837/4885
US-20080255205-A1 protein kinase receptors (like Tie-2 and Aurora) modulators; to treat cancer, inflammation and related disorders; to regulate active angiogenesis, cell-signal transduction; 5-(3-(1H-tetrazol-5-yl)pyridin-2-yloxy)-N-(3-chlorobenzyl)-2-fluorobenzamide TIE1, AURKB, TEK ADRB1 834/4885ADRB3 1224/4885FEN1 3886/4885

“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.