SCHEMBL2333653

SCHEMBL2333653

Oc1ccc(Cl)cc1-c1nc(NC2CCCNCC2)c2ccccc2n1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 13/20 0.82
CYP1A2 P05177 5/20 0.64
CLK4 Q9HAZ1 2/20 0.64
CHEK1 O14757 5/20 0.64
MEN1 O00255 1/20 0.62
HSP90AA1 P07900 1/20 0.62
KMT2A Q03164 1/20 0.62
HSD17B10 Q99714 1/20 0.59
CYP2C19 P33261 1/20 0.56
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
GBA1 P04062 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL2327682 0.92 CHEK2 (0.89) CHEK2CYP1A2CLK4CHEK1MEN1
SCHEMBL2327672 0.92 CHEK2 (0.89) CHEK2CYP1A2CLK4CHEK1MEN1
SCHEMBL2330902 0.90 CHEK2 (1.00) CHEK2CYP1A2CLK4CHEK1
SCHEMBL2330896 0.90 CHEK2 (1.00) CHEK2CYP1A2CLK4CHEK1
SCHEMBL2332501 0.89 CHEK2 (0.87) CHEK2CYP1A2CLK4CHEK1MEN1
SCHEMBL2332324 0.88 CHEK2 (0.82) CHEK2CYP1A2CLK4CHEK1MEN1
SCHEMBL12390573 0.88 CHEK2 (0.82) CHEK2CYP1A2CLK4CHEK1MEN1
SCHEMBL2328115 0.88 CHEK2 (1.00) CHEK2CYP1A2CLK4CHEK1MEN1
SCHEMBL28607078 0.80 CHEK2 (0.78) CHEK2CHEK1MEN1HSP90AA1KMT2A
SCHEMBL2335778 0.80 CHEK2 (0.89) CHEK2CHEK1MEN1HSP90AA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324226-B2 Therapeutic oxy-phenyl-aryl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-12-04 US disclosed
US-8324226-B2 Therapeutic oxy-phenyl-aryl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-12-04 US disclosed
US-8324226-B2 Therapeutic oxy-phenyl-aryl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-12-04 US disclosed
EP-2227460-B1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2012-06-20 EP disclosed
EP-2227460-B1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2012-06-20 EP disclosed
US-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-18 US disclosed
US-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-18 US disclosed
US-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-18 US disclosed
EP-2227460-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-09-15 EP disclosed
WO-2009053694-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-30 WO disclosed
WO-2009053694-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-30 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-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CHEK2, CHEK1, PLK1 CHEK2 1/4885CYP1A2 1846/4885CLK4 455/4885

“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.