SCHEMBL4087566

SCHEMBL4087566

CCOC(=O)c1ccnc(OCCBr)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 6/20 0.50
PIK3CA P42336 1/20 0.48
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
GPR119 Q8TDV5 1/20 0.43
KDM5B Q9UGL1 2/20 0.42
KDM5A P29375 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B2 P37059 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL4090687 0.87 JMJD6 (0.51) JMJD6PIK3CACA12CA1CA2
SCHEMBL3723629 0.86 JMJD6 (0.56) JMJD6PIK3CACA12CA1CA2
SCHEMBL7456502 0.82 JMJD6 (0.55) JMJD6PIK3CACA12CA1CA2
SCHEMBL4410496 0.81 PIK3CA (0.52) JMJD6PIK3CACA12CA1CA2
SCHEMBL9600534 0.81 JMJD6 (0.58) JMJD6ESR1LMNACYP1A2CYP3A4
SCHEMBL4082186 0.78 JMJD6 (0.47) JMJD6PIK3CA
SCHEMBL14825305 0.78 JMJD6 (0.53) JMJD6PIK3CACA12CA1CA2
SCHEMBL31300311 0.77 JMJD6 (0.56) JMJD6PIK3CACA12CA1CA2
SCHEMBL188125 0.77 JMJD6 (0.56) JMJD6PIK3CACA12CA1CA2
SCHEMBL31670763 0.77 JMJD6 (0.50) JMJD6PIK3CACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 JMJD6 1861/4885PIK3CA 3707/4885CA12 1702/4885

“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.